N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide

C18H19ClN2O3 — CID 47824671

IUPACN-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)13-4-3-5-15(10-13)21-18(23)8-9-20-16-11-14(19)6-7-17(16)24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyZRWPIZLLMGRJKW-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.99
Rot. Bonds7

About N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide

N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide (PubChem CID 47824671) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
PubChem CID47824671
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(22)13-4-3-5-15(10-13)21-18(23)8-9-20-16-11-14(19)6-7-17(16)24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23)
InChIKeyZRWPIZLLMGRJKW-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
4-[3-(5-chloro-2-methoxyanilino)propanoylamino]benzamide
CID 56784810
[2-(3-acetylanilino)-2-oxoethyl] 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 17260747
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179
ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
3-(3-acetylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038513
3-(5-chloro-2-methoxyanilino)-N-(2-methylphenyl)propanamide
CID 47824653
3-(5-chloro-2-methylanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109038452
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide (CID 47824671) is N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide is COc1ccc(Cl)cc1NCCC(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide?
The InChIKey is ZRWPIZLLMGRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(22)13-4-3-5-15(10-13)21-18(23)8-9-20-16-11-14(19)6-7-17(16)24-2/h3-7,10-11,20H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide?
N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide has a molecular weight of 346.81 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(5-chloro-2-methoxyanilino)propanamide is sourced from PubChem (CID 47824671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).