5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide

C22H20ClNO3 — CID 16602950

IUPAC5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO3/c1-3-19(16-8-10-18(23)11-9-16)24-22(26)21-13-12-20(27-21)17-6-4-15(5-7-17)14(2)25/h4-13,19H,3H2,1-2H3,(H,24,26)
InChIKeyIDADOVCUPYMZCV-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.68
Rot. Bonds6

About 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide

5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide (PubChem CID 16602950) has the molecular formula C22H20ClNO3 and a molecular weight of 381.86 g/mol. Its IUPAC name is 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
PubChem CID16602950
Molecular FormulaC22H20ClNO3
Molecular Weight381.86 g/mol
Exact Mass381.11
IUPAC Name5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide
SMILESCCC(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccc(Cl)cc1
InChIInChI=1S/C22H20ClNO3/c1-3-19(16-8-10-18(23)11-9-16)24-22(26)21-13-12-20(27-21)17-6-4-15(5-7-17)14(2)25/h4-13,19H,3H2,1-2H3,(H,24,26)
InChIKeyIDADOVCUPYMZCV-UHFFFAOYSA-N
XLogP5.68
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-[2-(dimethylamino)-1-phenylethyl]furan-2-carboxamide
CID 24504342
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
(2R)-2-[[5-(4-acetylphenyl)furan-2-carbonyl]amino]-4-methylpentanoic acid
CID 119363534
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
5-(4-acetylphenyl)-N-[4-(4-chlorophenoxy)butyl]furan-2-carboxamide
CID 18286334
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-(4-acetylphenyl)furan-2-carboxylate
CID 7727801
5-(4-acetylphenyl)-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 18270106
5-(4-acetylphenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145659
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide?
The IUPAC name of 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide (CID 16602950) is 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide is CCC(NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide?
The InChIKey is IDADOVCUPYMZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO3/c1-3-19(16-8-10-18(23)11-9-16)24-22(26)21-13-12-20(27-21)17-6-4-15(5-7-17)14(2)25/h4-13,19H,3H2,1-2H3,(H,24,26).
What are the key properties of 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide?
5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylphenyl)-N-[1-(4-chlorophenyl)propyl]furan-2-carboxamide is sourced from PubChem (CID 16602950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).