3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide

C16H17ClN2O2 — CID 60928289

IUPAC3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-21-12-5-7-15(10(2)8-12)19-16(20)11-4-6-13(17)14(18)9-11/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyZGVFVPIINPEACL-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide

3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide (PubChem CID 60928289) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
PubChem CID60928289
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide
SMILESCCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1
InChIInChI=1S/C16H17ClN2O2/c1-3-21-12-5-7-15(10(2)8-12)19-16(20)11-4-6-13(17)14(18)9-11/h4-9H,3,18H2,1-2H3,(H,19,20)
InChIKeyZGVFVPIINPEACL-UHFFFAOYSA-N
XLogP3.88
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-chloro-N-(2,4-dimethylphenyl)benzamide
CID 16782790
3-amino-4-chloro-N-(3-ethoxyphenyl)benzamide
CID 60926921
4-bromo-N-(4-ethoxy-2-methylphenyl)benzamide
CID 47267913
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
[4-[(4-ethoxybenzoyl)amino]-3-methylphenyl] 4-ethoxybenzoate
CID 1234586
4-ethoxy-N-(4-iodo-2-methylphenyl)benzamide
CID 1350175
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967462
3-amino-N-(4-bromo-2-methylphenyl)-4-ethoxybenzamide
CID 61091755
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
6-chloro-N-(4-ethoxy-2-methylphenyl)pyridazine-3-carboxamide
CID 61041819
4-amino-N-(4-ethoxy-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 63103395

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide (CID 60928289) is 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide is CCOc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(C)c1.
What is the InChIKey of 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide?
The InChIKey is ZGVFVPIINPEACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-3-21-12-5-7-15(10(2)8-12)19-16(20)11-4-6-13(17)14(18)9-11/h4-9H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide?
3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(4-ethoxy-2-methylphenyl)benzamide is sourced from PubChem (CID 60928289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).