4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide

C15H15ClN2O2 — CID 61117425

IUPAC4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-5-4-10(17)8-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOXGGLMNRPBEVBQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.49
Rot. Bonds3

About 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide

4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide (PubChem CID 61117425) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
PubChem CID61117425
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
SMILESCOc1cc(C)ccc1NC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H15ClN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-5-4-10(17)8-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOXGGLMNRPBEVBQ-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.49
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

4-amino-2-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967456
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
5-amino-N-(2-chloro-4-methylphenyl)-2-methoxybenzamide
CID 61093558
2-chloro-N-(2,4-dimethoxyphenyl)-4-methylbenzamide
CID 885610
4-amino-2-chloro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 3359174
N-(5-amino-2-methylphenyl)-2-chloro-4-methylbenzamide
CID 106860345
N-(5-chloro-2,4-dimethoxyphenyl)-2,4-dimethylbenzamide
CID 925288
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
4-amino-2-chloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 110464996
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
N-(4-amino-2-chlorophenyl)-2,6-dimethoxybenzamide
CID 28546769
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The IUPAC name of 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide (CID 61117425) is 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The canonical SMILES for 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide is COc1cc(C)ccc1NC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
The InChIKey is OXGGLMNRPBEVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-3-6-13(14(7-9)20-2)18-15(19)11-5-4-10(17)8-12(11)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide?
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide has a molecular weight of 290.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide is sourced from PubChem (CID 61117425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).