N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide

C14H17ClN2O2 — CID 108942043

IUPACN-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-10-4-5-11(8-12(10)15)16-13(18)9-14(19)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyGQQKCZLSGSLDJR-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.60
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide

N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 108942043) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID108942043
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCc1ccc(NC(=O)CC(=O)N2CCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-10-4-5-11(8-12(10)15)16-13(18)9-14(19)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyGQQKCZLSGSLDJR-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943529
2-[2-(azepan-1-yl)-2-oxoethoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 4591298
N-(3-chloro-4-methoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942046
N-(4-chlorophenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942039
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
CID 108952717
3-(azepan-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide
CID 108952689
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)-3-oxopropanamide
CID 108944949
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
4-acetyl-N-(3-chloro-4-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23907940
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide (CID 108942043) is N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide is Cc1ccc(NC(=O)CC(=O)N2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is GQQKCZLSGSLDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-10-4-5-11(8-12(10)15)16-13(18)9-14(19)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide?
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 280.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108942043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).