N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide

C17H21ClN2O — CID 102434601

IUPACN-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide
SMILESC=CCC1CCC(CC=C)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-5-15-11-12-16(6-4-2)20(15)17(21)19-14-9-7-13(18)8-10-14/h3-4,7-10,15-16H,1-2,5-6,11-12H2,(H,19,21)
InChIKeyGHVGDFHVJNYQPK-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.86
Rot. Bonds5

About N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide

N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide (PubChem CID 102434601) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide
PubChem CID102434601
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide
SMILESC=CCC1CCC(CC=C)N1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O/c1-3-5-15-11-12-16(6-4-2)20(15)17(21)19-14-9-7-13(18)8-10-14/h3-4,7-10,15-16H,1-2,5-6,11-12H2,(H,19,21)
InChIKeyGHVGDFHVJNYQPK-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-6-azabicyclo[3.1.1]heptane-6-carboxamide;propane
CID 176941389
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N,2-bis(4-chlorophenyl)-4-ethyl-1,3-oxazolidine-3-carboxamide
CID 110190058
(2R,4aR,8aS)-2-[2-(4-chloroanilino)-2-oxoethyl]-3-oxo-N-phenyl-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 98337621
N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2R)-N-(4-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 40622393
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851
1-(4-chlorophenyl)-3-ethenylurea
CID 108909138

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide (CID 102434601) is N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide is C=CCC1CCC(CC=C)N1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide?
The InChIKey is GHVGDFHVJNYQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-5-15-11-12-16(6-4-2)20(15)17(21)19-14-9-7-13(18)8-10-14/h3-4,7-10,15-16H,1-2,5-6,11-12H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide has a molecular weight of 304.82 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,5-bis(prop-2-enyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 102434601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).