3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide

C17H19ClN2O3 — CID 109038046

IUPAC3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-7-15(16(11-14)23-2)20-17(21)8-9-19-13-5-3-4-12(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyWQQWHXDWYMZSDA-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.80
Rot. Bonds7

About 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide

3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 109038046) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID109038046
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-7-15(16(11-14)23-2)20-17(21)8-9-19-13-5-3-4-12(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21)
InChIKeyWQQWHXDWYMZSDA-UHFFFAOYSA-N
XLogP3.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
CID 109033246
N-(2,4-dimethoxyphenyl)-3-(2,3-dimethylanilino)propanamide
CID 109036046
N-(2,6-difluorophenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040526
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(3-chlorophenyl)-N'-(2,5-dimethoxyphenyl)ethane-1,2-diamine
CID 54806452
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
3-(3-chloro-4-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 109038680
N-(5-chloro-2-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109039094

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide (CID 109038046) is 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is WQQWHXDWYMZSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-14-6-7-15(16(11-14)23-2)20-17(21)8-9-19-13-5-3-4-12(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H,20,21).
What are the key properties of 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 334.80 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109038046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).