1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide

C16H19ClN2O2 — CID 60948630

IUPAC1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H19ClN2O2/c17-14(11-5-2-1-3-6-11)16(21)19-10-4-7-13(19)15(20)18-12-8-9-12/h1-3,5-6,12-14H,4,7-10H2,(H,18,20)
InChIKeyJSPFVANLFWODLW-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.24
Rot. Bonds4

About 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 60948630) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID60948630
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C16H19ClN2O2/c17-14(11-5-2-1-3-6-11)16(21)19-10-4-7-13(19)15(20)18-12-8-9-12/h1-3,5-6,12-14H,4,7-10H2,(H,18,20)
InChIKeyJSPFVANLFWODLW-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-(3-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 136523602
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-chloro-2-phenylethanone
CID 43628136
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
2-N-cyclopropyl-1-N-(1,4-diphenylbutyl)pyrrolidine-1,2-dicarboxamide
CID 112834732
(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
(2S)-N-cyclopropyl-1-(2,2-diphenylacetyl)piperazine-2-carboxamide
CID 95725760
N-cyclopropyl-1-[2-(3-fluorophenoxy)propanoyl]pyrrolidine-2-carboxamide
CID 86927916
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 60948630) is 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is JSPFVANLFWODLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-14(11-5-2-1-3-6-11)16(21)19-10-4-7-13(19)15(20)18-12-8-9-12/h1-3,5-6,12-14H,4,7-10H2,(H,18,20).
What are the key properties of 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-phenylacetyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60948630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).