2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide

C16H17ClN2O2 — CID 107843328

IUPAC2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-6-5-12(17)10-15(14)18/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyMBQWXXGKANQFGU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide

2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 107843328) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID107843328
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)cc2N)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-6-5-12(17)10-15(14)18/h2-6,9-10H,7-8,18H2,1H3,(H,19,20)
InChIKeyMBQWXXGKANQFGU-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]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

2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-5-sulfanylbenzamide
CID 107854785
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207205
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
2-amino-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzamide
CID 115412431
4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
2-(3-aminophenyl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 28711957

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 107843328) is 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2ccc(Cl)cc2N)c1.
What is the InChIKey of 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is MBQWXXGKANQFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-13-4-2-3-11(9-13)7-8-19-16(20)14-6-5-12(17)10-15(14)18/h2-6,9-10H,7-8,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 2.90, 5 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-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 107843328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).