N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

C14H17ClN2O2 — CID 51362513

IUPACN-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-5-12(6-4-11)16-13(18)7-8-14(19)17-9-1-2-10-17/h3-6H,1-2,7-10H2,(H,16,18)
InChIKeyGKOCTGUTPNZVNP-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.68
Rot. Bonds4

About N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide

N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 51362513) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID51362513
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c15-11-3-5-12(6-4-11)16-13(18)7-8-14(19)17-9-1-2-10-17/h3-6H,1-2,7-10H2,(H,16,18)
InChIKeyGKOCTGUTPNZVNP-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
N-(4-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 45109691
N-(4-chlorophenyl)-4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-oxobutanamide
CID 51048648
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
2-(4-chlorophenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 17173032
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
3-(4-fluorophenyl)-N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]propanamide
CID 110633755
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(4-methylphenyl)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115571750
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338
N-(4-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952332

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 51362513) is N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is O=C(CCC(=O)N1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is GKOCTGUTPNZVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-11-3-5-12(6-4-11)16-13(18)7-8-14(19)17-9-1-2-10-17/h3-6H,1-2,7-10H2,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 280.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 51362513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).