2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide

C16H17ClN2O2 — CID 63110657

IUPAC2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(Cl)cc2N)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-4-7-14(10(2)15(9)21-3)19-16(20)12-6-5-11(17)8-13(12)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyYWBOCUDODHWCCS-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.80
Rot. Bonds3

About 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide

2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide (PubChem CID 63110657) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
PubChem CID63110657
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide
SMILESCOc1c(C)ccc(NC(=O)c2ccc(Cl)cc2N)c1C
InChIInChI=1S/C16H17ClN2O2/c1-9-4-7-14(10(2)15(9)21-3)19-16(20)12-6-5-11(17)8-13(12)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyYWBOCUDODHWCCS-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(3-methoxy-2,4-dimethylphenyl)-5-methylbenzamide
CID 62509266
4-[(2-amino-4-chlorobenzoyl)amino]-3-methylbenzamide
CID 62059537
4-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyridine-3-carboxamide
CID 81227385
N-(5-amino-2,4-dimethylphenyl)-4-chloro-2-methoxybenzamide
CID 104756975
2-amino-4-chloro-N-(2,5-dichlorophenyl)benzamide
CID 29037738
N-(2-amino-5-chlorophenyl)-5-chloro-2-methylbenzamide
CID 82880207
2-amino-4-chloro-N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 107624330
2,4-diamino-N-(2,4-dichlorophenyl)benzamide
CID 61091411
2-amino-4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 63110506
2-amino-4-chloro-N-(2,4-dibromophenyl)benzamide
CID 61471749
5-chloro-N-(3-methoxy-2,4-dimethylphenyl)pyrazine-2-carboxamide
CID 107246554
N-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide (CID 63110657) is 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide is COc1c(C)ccc(NC(=O)c2ccc(Cl)cc2N)c1C.
What is the InChIKey of 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
The InChIKey is YWBOCUDODHWCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-4-7-14(10(2)15(9)21-3)19-16(20)12-6-5-11(17)8-13(12)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide?
2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(3-methoxy-2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 63110657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).