2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide

C13H17ClN2O — CID 60505498

IUPAC2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)
InChIKeyAOBJRPPGSUVURS-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.22
Rot. Bonds3

About 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide

2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide (PubChem CID 60505498) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
PubChem CID60505498
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCC1c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17)
InChIKeyAOBJRPPGSUVURS-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 124721311
2-[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 124732262
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60505527
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]butane-1,3-dione
CID 54876515
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60505437
1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methoxyethanone
CID 53017065
2-[2-(2-chlorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120757474
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329
(2R)-2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 94196270
2-(2-chlorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330063
3-chloro-1-[2-(2-chlorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 62727780

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide (CID 60505498) is 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCC1c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
The InChIKey is AOBJRPPGSUVURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-15-13(17)9-16-8-4-7-12(16)10-5-2-3-6-11(10)14/h2-3,5-6,12H,4,7-9H2,1H3,(H,15,17).
What are the key properties of 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide?
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide has a molecular weight of 252.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 60505498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).