2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide

C16H17ClN2O2 — CID 61117267

IUPAC2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-6-7-15(18)14(10-13)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyPRLASAZTHQODBW-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.90
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide

2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide (PubChem CID 61117267) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
PubChem CID61117267
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17ClN2O2/c1-21-13-6-7-15(18)14(10-13)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKeyPRLASAZTHQODBW-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-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide 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-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342
2-amino-4-chloro-5-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 118498869
2-amino-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 60954479
2-amino-5-methoxy-N-propylbenzamide
CID 60954595
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
2-amino-5-methoxy-N-(3-methoxypropyl)benzamide
CID 54878569
2-amino-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 80503131
4-amino-N-[2-(4-chlorophenyl)ethyl]-3-methoxybenzamide
CID 104782528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide (CID 61117267) is 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide is COc1ccc(N)c(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
The InChIKey is PRLASAZTHQODBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-21-13-6-7-15(18)14(10-13)16(20)19-9-8-11-2-4-12(17)5-3-11/h2-7,10H,8-9,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide?
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide 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-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide is sourced from PubChem (CID 61117267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).