3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide

C18H19ClN2O3 — CID 113129151

IUPAC3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-9-17(24-2)10-8-16)12-11-18(23)20-15-5-3-14(19)4-6-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQZUIGFIKSXUKMO-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.73
Rot. Bonds6

About 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide

3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide (PubChem CID 113129151) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
PubChem CID113129151
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2)C(C)=O)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-9-17(24-2)10-8-16)12-11-18(23)20-15-5-3-14(19)4-6-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyQZUIGFIKSXUKMO-UHFFFAOYSA-N
XLogP3.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
CID 113127435
ethyl 4-[acetyl-[3-(4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 113133372
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
methyl 3-[3-(N-acetyl-4-methoxyanilino)propanoylamino]benzoate
CID 113129180
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113129157
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide (CID 113129151) is 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide is COc1ccc(N(CCC(=O)Nc2ccc(Cl)cc2)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide?
The InChIKey is QZUIGFIKSXUKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21(16-7-9-17(24-2)10-8-16)12-11-18(23)20-15-5-3-14(19)4-6-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide?
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide is sourced from PubChem (CID 113129151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).