5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine

C215H200Cl7FN22O9S2 — CID 172943948

About 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine

5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine (PubChem CID 172943948) has the molecular formula C215H200Cl7FN22O9S2 and a molecular weight of 3567.41 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine.

Molecular Properties

• Compound Name: 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine
• PubChem CID: 172943948
• Molecular Formula: C215H200Cl7FN22O9S2
• Molecular Weight: 3567.41 g/mol
• Exact Mass: 3561.31
• IUPAC Name: 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine
• SMILES: COc1ccc2ccc(C)cc2c1.Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C
• InChI: InChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.C11H9Cl.C11H9F.C9H10N2.C8H8N2O.C8H8N2S/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-2-3-7-5-11-9(10)8(7)4-6;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2*2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2*2-4H,1H3,(H2,9,10)
• InChIKey: BPQIFPXREVXCCG-UHFFFAOYSA-N
• XLogP: 51.79
• TPSA: 644.58 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3567.41
LogP ≤ 5	51.79
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The IUPAC name of 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine (CID 172943948) is 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine.

What is the SMILES notation for 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The canonical SMILES for 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine is COc1ccc2ccc(C)cc2c1.Cc1cc2c(Cl)cccc2cc1/C(N)=N\O.Cc1cc2c(Cl)cccc2cc1C#N.Cc1cc2c(Cl)cccc2cc1C(N)=O.Cc1cc2c(Cl)cccc2cc1CN.Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.Cc1cc2ccccc2cc1/C(N)=N\O.Cc1cc2ccccc2cc1C#N.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1ccc2c(c1)C(N)=NC2.Cc1ccc2ccc(C(N)=O)cc2c1.Cc1ccc2ccc(CN)cc2c1.Cc1ccc2onc(N)c2c1.Cc1ccc2snc(N)c2c1.[H]/N=C(\N)c1cc2cccc(Cl)c2cc1C.[H]/N=C(\N)c1cc2ccccc2cc1C.

What is the InChIKey of 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

The InChIKey is BPQIFPXREVXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C12H11ClN2.C12H10ClNO.C12H12ClN.C12H8ClN.C12H11ClO2S.C12H12N2O.C12H12N2.2C12H11NO.2C12H13N.C12H9N.C12H12O.C11H9Cl.C11H9F.C9H10N2.C8H8N2O.C8H8N2S/c1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15-16;2*1-7-5-10-8(3-2-4-11(10)13)6-9(7)12(14)15;2*1-8-5-11-9(6-10(8)7-14)3-2-4-12(11)13;1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14-15;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-8-2-3-9-4-5-10(12(13)14)7-11(9)6-8;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-2-4-11-5-3-10(8-13)7-12(11)6-9;2*1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-9-3-4-10-5-6-12(13-2)8-11(10)7-9;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-2-3-7-5-11-9(10)8(7)4-6;2*1-5-2-3-7-6(4-5)8(9)10-11-7/h2-6,16H,1H3,(H2,14,15);2-6H,1H3,(H3,14,15);2-6H,1H3,(H2,14,15);2-6H,7,14H2,1H3;2-6H,1H3;3-7H,1-2H3;2-7,15H,1H3,(H2,13,14);2-7H,1H3,(H3,13,14);2*2-7H,1H3,(H2,13,14);2*2-7H,8,13H2,1H3;2-7H,1H3;3-8H,1-2H3;2*2-7H,1H3;2-4H,5H2,1H3,(H2,10,11);2*2-4H,1H3,(H2,9,10).

What are the key properties of 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine?

5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine has a molecular weight of 3567.41 g/mol, XLogP of 51.79, 12 rotatable bonds, 17 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N'-hydroxy-3-methylnaphthalene-2-carboximidamide;1-chloro-7-methyl-6-methylsulfonylnaphthalene;2-chloro-3-methylnaphthalene;5-chloro-3-methylnaphthalene-2-carbonitrile;5-chloro-3-methylnaphthalene-2-carboxamide;5-chloro-3-methylnaphthalene-2-carboximidamide;(5-chloro-3-methylnaphthalen-2-yl)methanamine;2-fluoro-3-methylnaphthalene;N'-hydroxy-3-methylnaphthalene-2-carboximidamide;2-methoxy-7-methylnaphthalene;5-methyl-1,2-benzothiazol-3-amine;5-methyl-1,2-benzoxazol-3-amine;6-methyl-3H-isoindol-1-amine;3-methylnaphthalene-2-carbonitrile;3-methylnaphthalene-2-carboxamide;7-methylnaphthalene-2-carboxamide;3-methylnaphthalene-2-carboximidamide;(3-methylnaphthalen-2-yl)methanamine;(7-methylnaphthalen-2-yl)methanamine is sourced from PubChem (CID 172943948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).