2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide

C16H17ClN2O2 — CID 60874084

IUPAC2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
SMILESCCOc1cccc(CNc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-13-5-3-4-11(8-13)10-19-12-6-7-14(16(18)20)15(17)9-12/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyAHELNPSPOPGWLH-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.45
Rot. Bonds6

About 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide

2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide (PubChem CID 60874084) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
PubChem CID60874084
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide
SMILESCCOc1cccc(CNc2ccc(C(N)=O)c(Cl)c2)c1
InChIInChI=1S/C16H17ClN2O2/c1-2-21-13-5-3-4-11(8-13)10-19-12-6-7-14(16(18)20)15(17)9-12/h3-9,19H,2,10H2,1H3,(H2,18,20)
InChIKeyAHELNPSPOPGWLH-UHFFFAOYSA-N
XLogP3.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(3-ethoxyphenyl)methylamino]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-[(3-ethoxyphenyl)methylamino]benzamide
CID 60874641
4-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 39369985
4-chloro-N-[(3-ethoxyphenyl)methyl]-3-nitroaniline
CID 60872179
3-[(3-propoxyphenyl)methylamino]benzamide
CID 61016518
2-[(3-ethoxyphenyl)methylamino]benzoic acid
CID 60874267
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-[(3-ethoxyanilino)methyl]aniline
CID 83961381
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
4-[3-(2-aminoethoxy)anilino]-2-chlorobenzamide
CID 63120956
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide?
The IUPAC name of 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide (CID 60874084) is 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide.
What is the SMILES notation for 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide?
The canonical SMILES for 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide is CCOc1cccc(CNc2ccc(C(N)=O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide?
The InChIKey is AHELNPSPOPGWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-2-21-13-5-3-4-11(8-13)10-19-12-6-7-14(16(18)20)15(17)9-12/h3-9,19H,2,10H2,1H3,(H2,18,20).
What are the key properties of 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide?
2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-ethoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 60874084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).