3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide

C18H19ClN2O3 — CID 113127294

IUPAC3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-5-3-4-14(19)12-16)11-10-18(23)20-15-6-8-17(24-2)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySFXDRNOMOKFNEE-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.73
Rot. Bonds6

About 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide

3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide (PubChem CID 113127294) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
PubChem CID113127294
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-5-3-4-14(19)12-16)11-10-18(23)20-15-6-8-17(24-2)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeySFXDRNOMOKFNEE-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-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-chloroanilino)-N-(4-fluorophenyl)propanamide
CID 113127279
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
3-(N-acetyl-4-chloro-2-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113127915
3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
3-(N-acetyl-3,5-dichloroanilino)-N-phenylpropanamide
CID 113134105
3-(N-acetyl-3-chloroanilino)-N-(2-methoxyethyl)propanamide
CID 113127188

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide (CID 113127294) is 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCN(C(C)=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide?
The InChIKey is SFXDRNOMOKFNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21(16-5-3-4-14(19)12-16)11-10-18(23)20-15-6-8-17(24-2)9-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide?
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)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-3-chloroanilino)-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113127294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).