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

C16H16ClNO2 — CID 113098173

IUPAC4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-20-15-4-2-3-12(11-15)9-10-18-16(19)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyAGCPPRFKTREEMC-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.32
Rot. Bonds5

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

4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 113098173) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID113098173
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClNO2/c1-20-15-4-2-3-12(11-15)9-10-18-16(19)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyAGCPPRFKTREEMC-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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

4-(aminomethyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 103794996
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
4-N-cycloheptyl-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 109048043
N-[2-(3-methoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044244
4-[5-(2,4-dichlorophenyl)-1H-pyrazol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 46091890
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide (CID 113098173) is 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(CCNC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is AGCPPRFKTREEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-15-4-2-3-12(11-15)9-10-18-16(19)13-5-7-14(17)8-6-13/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide?
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 289.76 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113098173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).