N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide

C19H18ClNO3 — CID 108807598

IUPACN-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18ClNO3/c1-13(22)15-10-11-16(20)17(12-15)21-19(24)9-5-8-18(23)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,24)
InChIKeyQOALPIQOQYVAMA-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.53
Rot. Bonds7

About N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide

N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide (PubChem CID 108807598) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
PubChem CID108807598
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC NameN-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)c2ccccc2)c1
InChIInChI=1S/C19H18ClNO3/c1-13(22)15-10-11-16(20)17(12-15)21-19(24)9-5-8-18(23)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,24)
InChIKeyQOALPIQOQYVAMA-UHFFFAOYSA-N
XLogP4.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[(5-oxo-5-phenylpentanoyl)amino]benzoate
CID 110356123
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
CID 71917349
N-(5-benzoyl-2-chlorophenyl)-3-oxobutanamide
CID 154130409
N-(5-acetyl-2-methylphenyl)-5-(4-fluorophenyl)-5-oxopentanamide
CID 110618430
5-[2-chloro-5-(dimethylcarbamoyl)anilino]-5-oxopentanoic acid
CID 60940816
6-(2-chloro-5-methoxycarbonylanilino)-6-oxohexanoic acid
CID 43579926
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
3-(5-aminohexanoylamino)-4-chlorobenzoic acid
CID 82852012
methyl 4-chloro-3-[[4-(3-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424495

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide (CID 108807598) is N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide is CC(=O)c1ccc(Cl)c(NC(=O)CCCC(=O)c2ccccc2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide?
The InChIKey is QOALPIQOQYVAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-13(22)15-10-11-16(20)17(12-15)21-19(24)9-5-8-18(23)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,24).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide?
N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide has a molecular weight of 343.81 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide is sourced from PubChem (CID 108807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).