N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide

C17H17ClN2O2 — CID 71917349

IUPACN-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccn2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)13-8-9-15(18)16(11-13)20-17(22)7-4-6-14-5-2-3-10-19-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,20,22)
InChIKeyZQQUDEBCDCAVBC-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.90
Rot. Bonds6

About N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide

N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide (PubChem CID 71917349) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
PubChem CID71917349
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide
SMILESCC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccn2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)13-8-9-15(18)16(11-13)20-17(22)7-4-6-14-5-2-3-10-19-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,20,22)
InChIKeyZQQUDEBCDCAVBC-UHFFFAOYSA-N
XLogP3.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetyl-2-chlorophenyl)-5-oxo-5-phenylpentanamide
CID 108807598
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-2-ylbutanamide
CID 141052646
N-(5-acetyl-2-chlorophenyl)-4-(4-chlorophenyl)-4-oxobutanamide
CID 108808163
3,4-dichloro-N-(3-pyridin-2-ylpropyl)benzamide
CID 110660973
N-(5-acetyl-2-chlorophenyl)-3-(4-methylphenoxy)propanamide
CID 108802815
4-chloro-3-(4-phenylbutanoylamino)-N-propan-2-ylbenzamide
CID 60532091
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
N-(4-acetylphenyl)-3-(2-pyridin-2-ylethylsulfanyl)propanamide
CID 5108873
N-(2,5-dichlorophenyl)-4-(2-pyridin-2-yl-1H-indol-3-yl)butanamide
CID 18827506
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
4-pyridin-2-yl-N-(3-pyrimidin-2-yloxyphenyl)butanamide
CID 75371190
N-(3-chloro-4-methoxyphenyl)-3-pyridin-2-ylpropanamide
CID 47468190

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide (CID 71917349) is N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide is CC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccn2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide?
The InChIKey is ZQQUDEBCDCAVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(21)13-8-9-15(18)16(11-13)20-17(22)7-4-6-14-5-2-3-10-19-14/h2-3,5,8-11H,4,6-7H2,1H3,(H,20,22).
What are the key properties of N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide?
N-(5-acetyl-2-chlorophenyl)-4-pyridin-2-ylbutanamide has a molecular weight of 316.79 g/mol, XLogP of 3.90, 6 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)-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 71917349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).