N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide

C13H17ClN2O — CID 61372532

IUPACN-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)9-16-13(17)8-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)
InChIKeyRTLPPSQIXLWMRW-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.10
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 61372532) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID61372532
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)9-16-13(17)8-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17)
InChIKeyRTLPPSQIXLWMRW-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119716948
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119716947
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
2-pyrrolidin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 119866390
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 61372532) is N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is RTLPPSQIXLWMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-5-3-10(4-6-11)9-16-13(17)8-12-2-1-7-15-12/h3-6,12,15H,1-2,7-9H2,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 252.74 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 61372532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).