2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide

C18H21ClN2O2 — CID 54815945

IUPAC2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-9-23-16-6-4-5-15(10-16)21-18(22)12-20-14-8-7-13(2)17(19)11-14/h4-8,10-11,20H,3,9,12H2,1-2H3,(H,21,22)
InChIKeyJLQAJFMDKZJQHX-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.49
Rot. Bonds7

About 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide

2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide (PubChem CID 54815945) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
PubChem CID54815945
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide
SMILESCCCOc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-9-23-16-6-4-5-15(10-16)21-18(22)12-20-14-8-7-13(2)17(19)11-14/h4-8,10-11,20H,3,9,12H2,1-2H3,(H,21,22)
InChIKeyJLQAJFMDKZJQHX-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide 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

N-(4-methylphenyl)-2-(3-propoxyanilino)acetamide
CID 36860720
N-[3-[[2-(3-propoxyanilino)acetyl]amino]phenyl]propanamide
CID 54825188
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
N-(3-butan-2-yloxyphenyl)-2-(3-chloro-4-methylanilino)acetamide
CID 54815838
2-(3,4-dichloroanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811847
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
N-[3-(2-methylprop-2-enoxy)phenyl]-2-(3-propoxyanilino)acetamide
CID 54824758
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
3-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]-N-propylbenzamide
CID 54838865
propyl 4-[[2-oxo-2-(3-propoxyanilino)ethyl]amino]benzoate
CID 54812726

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide (CID 54815945) is 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide is CCCOc1cccc(NC(=O)CNc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide?
The InChIKey is JLQAJFMDKZJQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-9-23-16-6-4-5-15(10-16)21-18(22)12-20-14-8-7-13(2)17(19)11-14/h4-8,10-11,20H,3,9,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide?
2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 54815945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).