N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide

C17H16ClNO2 — CID 19220931

IUPACN-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-12(20)14-3-2-4-16(11-14)19-17(21)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)
InChIKeyJGVXPVBETPWBMN-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.11
Rot. Bonds5

About N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide

N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide (PubChem CID 19220931) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
PubChem CID19220931
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO2/c1-12(20)14-3-2-4-16(11-14)19-17(21)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21)
InChIKeyJGVXPVBETPWBMN-UHFFFAOYSA-N
XLogP4.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(3-acetylphenyl)-3-[4-(tert-butylsulfamoyl)phenyl]propanamide
CID 1296104
N-(3-acetylphenyl)-3-pyridin-3-ylpropanamide
CID 9209643
3-(4-tert-butylphenyl)-N-(3-chlorophenyl)propanamide
CID 19221190
N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
3-[[2-(4-chlorophenyl)acetyl]amino]-N-ethylbenzamide
CID 17230707

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide (CID 19220931) is N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide is CC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide?
The InChIKey is JGVXPVBETPWBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(20)14-3-2-4-16(11-14)19-17(21)10-7-13-5-8-15(18)9-6-13/h2-6,8-9,11H,7,10H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide?
N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide has a molecular weight of 301.77 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide is sourced from PubChem (CID 19220931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).