2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide

C15H16ClN3O2 — CID 76981453

IUPAC2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1ccc(N(C)c2ccc(C(N)=NO)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-19(10-3-6-12(21-2)7-4-10)11-5-8-13(14(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyCXGMVODIBNVJIF-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide

2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide (PubChem CID 76981453) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
PubChem CID76981453
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide
SMILESCOc1ccc(N(C)c2ccc(C(N)=NO)c(Cl)c2)cc1
InChIInChI=1S/C15H16ClN3O2/c1-19(10-3-6-12(21-2)7-4-10)11-5-8-13(14(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18)
InChIKeyCXGMVODIBNVJIF-UHFFFAOYSA-N
XLogP3.21
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-chloro-N'-hydroxy-4-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 76981432
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
4-bromo-N'-hydroxy-2-(4-methoxy-N-methylanilino)benzenecarboximidamide
CID 114904020
2-chloro-N'-hydroxy-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 76981406
2-chloro-4-[cyclopentyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55154718
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
2-chloro-N'-hydroxy-4-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 55152824
4-(2-bromo-4-methoxyphenoxy)-2-chloro-N'-hydroxybenzenecarboximidamide
CID 104707751
2-chloro-N'-hydroxy-4-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552150
2-chloro-4-[cyclopropylmethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 55152255
4-[bis(2-hydroxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide (CID 76981453) is 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide is COc1ccc(N(C)c2ccc(C(N)=NO)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
The InChIKey is CXGMVODIBNVJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19(10-3-6-12(21-2)7-4-10)11-5-8-13(14(16)9-11)15(17)18-20/h3-9,20H,1-2H3,(H2,17,18).
What are the key properties of 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide?
2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide has a molecular weight of 305.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-(4-methoxy-N-methylanilino)benzenecarboximidamide is sourced from PubChem (CID 76981453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).