2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide

C12H15ClN2O — CID 62379159

IUPAC2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCNC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)7-12(16)15-11-5-6-14-8-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyUBPOMZJPNIMMNP-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.36
Rot. Bonds3

About 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide

2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide (PubChem CID 62379159) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
PubChem CID62379159
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCNC1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)7-12(16)15-11-5-6-14-8-11/h1-4,11,14H,5-8H2,(H,15,16)
InChIKeyUBPOMZJPNIMMNP-UHFFFAOYSA-N
XLogP1.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 43603662
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
2-[(4-chlorophenyl)methylcarbamoylamino]-N-pyrrolidin-3-ylacetamide
CID 119451180
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
2-[(4-chlorophenyl)methylsulfanyl]-N-piperidin-4-ylacetamide
CID 119388300
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
2-(4-methylphenyl)-N-[(3R)-piperidin-3-yl]acetamide
CID 113436646
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
2-(4-chlorophenyl)sulfanyl-N-piperidin-3-ylacetamide
CID 119427074
2-(2-chloro-6-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 55068411

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide (CID 62379159) is 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide is O=C(Cc1ccc(Cl)cc1)NC1CCNC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide?
The InChIKey is UBPOMZJPNIMMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-3-1-9(2-4-10)7-12(16)15-11-5-6-14-8-11/h1-4,11,14H,5-8H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide?
2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide has a molecular weight of 238.72 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 62379159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).