N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide

C13H14ClN3O — CID 2463687

IUPACN-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c14-12-7-11(4-3-10(12)8-15)16-13(18)9-17-5-1-2-6-17/h3-4,7H,1-2,5-6,9H2,(H,16,18)
InChIKeyJRFUCMQMCWVYBJ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.25
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide

N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 2463687) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID2463687
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide
SMILESN#Cc1ccc(NC(=O)CN2CCCC2)cc1Cl
InChIInChI=1S/C13H14ClN3O/c14-12-7-11(4-3-10(12)8-15)16-13(18)9-17-5-1-2-6-17/h3-4,7H,1-2,5-6,9H2,(H,16,18)
InChIKeyJRFUCMQMCWVYBJ-UHFFFAOYSA-N
XLogP2.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide (CID 2463687) is N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide is N#Cc1ccc(NC(=O)CN2CCCC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is JRFUCMQMCWVYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-7-11(4-3-10(12)8-15)16-13(18)9-17-5-1-2-6-17/h3-4,7H,1-2,5-6,9H2,(H,16,18).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide?
N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 263.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 2463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).