benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

C146H172Cl10FN17O10S3 — CID 159503031

About benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine

benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (PubChem CID 159503031) has the molecular formula C146H172Cl10FN17O10S3 and a molecular weight of 2794.82 g/mol. Its IUPAC name is benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

Molecular Properties

• Compound Name: benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
• PubChem CID: 159503031
• Molecular Formula: C146H172Cl10FN17O10S3
• Molecular Weight: 2794.82 g/mol
• Exact Mass: 2787.95
• IUPAC Name: benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine
• SMILES: CCc1ccc(C)cc1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccnc(N)c1.NC(=O)c1ccccc1
• InChI: InChI=1S/C9H11NO2.C9H12.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H10FN.C8H9NO.2C8H11N.C8H10O.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H7NO.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-6-3-4-7(12-2)5-8(6)9(10)11;1-3-9-6-4-8(2)5-7-9;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-3-4-7(9)5-8(6)12(2,10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;8-7(9)6-4-2-1-3-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h3-5H,1-2H3,(H2,10,11);4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);2-4H,5,10H2,1H3;3-5H,1-2H3;2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;1-5H,(H2,8,9);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3
• InChIKey: LZQCBQUQIGZCGU-UHFFFAOYSA-N
• XLogP: 35.10
• TPSA: 544.84 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2794.82
LogP ≤ 5	35.10
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The IUPAC name of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine (CID 159503031) is benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine.

What is the SMILES notation for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The canonical SMILES for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is CCc1ccc(C)cc1.COc1ccc(C)c(C(N)=O)c1.COc1ccc(C)cc1.Cc1ccc(Cl)c(N)c1.Cc1ccc(Cl)c(N)n1.Cc1ccc(Cl)cc1.Cc1ccc(Cl)cc1C(N)=O.Cc1ccc(Cl)cc1CN.Cc1ccc(Cl)cc1S(C)(=O)=O.Cc1ccc(Cl)cc1S(N)(=O)=O.Cc1ccc(Cl)cn1.Cc1ccc(Cl)s1.Cc1ccc(F)cc1CN.Cc1cccc(CN)c1.Cc1cccc(Cl)c1.Cc1cccc(N)n1.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccnc(N)c1.NC(=O)c1ccccc1.

What is the InChIKey of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

The InChIKey is LZQCBQUQIGZCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C9H12.C8H8ClNO.C8H10ClN.C8H9ClO2S.C8H10FN.C8H9NO.2C8H11N.C8H10O.C7H8ClNO2S.C7H8ClN.2C7H7Cl.C7H7NO.C6H7ClN2.C6H6ClN.2C6H8N2.C5H5ClS/c1-6-3-4-7(12-2)5-8(6)9(10)11;1-3-9-6-4-8(2)5-7-9;1-5-2-3-6(9)4-7(5)8(10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-3-4-7(9)5-8(6)12(2,10)11;1-6-2-3-8(9)4-7(6)5-10;1-6-4-2-3-5-7(6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9;1-7-3-5-8(9-2)6-4-7;1-5-2-3-6(8)4-7(5)12(9,10)11;1-5-2-3-6(8)7(9)4-5;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;8-7(9)6-4-2-1-3-5-6;1-4-2-3-5(7)6(8)9-4;1-5-2-3-6(7)4-8-5;1-5-2-3-8-6(7)4-5;1-5-3-2-4-6(7)8-5;1-4-2-3-5(6)7-4/h3-5H,1-2H3,(H2,10,11);4-7H,3H2,1-2H3;2-4H,1H3,(H2,10,11);2-4H,5,10H2,1H3;3-5H,1-2H3;2-4H,5,10H2,1H3;2-5H,1H3,(H2,9,10);2*2-5H,6,9H2,1H3;3-6H,1-2H3;2-4H,1H3,(H2,9,10,11);2-4H,9H2,1H3;2*2-5H,1H3;1-5H,(H2,8,9);2-3H,1H3,(H2,8,9);2-4H,1H3;2*2-4H,1H3,(H2,7,8);2-3H,1H3.

What are the key properties of benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine?

benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine has a molecular weight of 2794.82 g/mol, XLogP of 35.10, 13 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for benzamide;2-chloro-5-methylaniline;5-chloro-2-methylbenzamide;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;5-chloro-2-methylbenzenesulfonamide;4-chloro-1-methyl-2-methylsulfonylbenzene;(5-chloro-2-methylphenyl)methanamine;3-chloro-6-methylpyridin-2-amine;5-chloro-2-methylpyridine;2-chloro-5-methylthiophene;1-ethyl-4-methylbenzene;(5-fluoro-2-methylphenyl)methanamine;5-methoxy-2-methylbenzamide;1-methoxy-4-methylbenzene;2-methylbenzamide;(2-methylphenyl)methanamine;(3-methylphenyl)methanamine;4-methylpyridin-2-amine;6-methylpyridin-2-amine is sourced from PubChem (CID 159503031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).