N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide

C19H18ClFN2O — CID 91944133

IUPACN-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCCC1C=Cc1ccccc1
InChIInChI=1S/C19H18ClFN2O/c20-15-9-11-18(17(21)13-15)22-19(24)23-12-4-7-16(23)10-8-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,16H,4,7,12H2,(H,22,24)
InChIKeyTZPXAEFRYWVYKL-UHFFFAOYSA-N
MW344.82 g/mol
LogP5.19
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide

N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide (PubChem CID 91944133) has the molecular formula C19H18ClFN2O and a molecular weight of 344.82 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide
PubChem CID91944133
Molecular FormulaC19H18ClFN2O
Molecular Weight344.82 g/mol
Exact Mass344.11
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)N1CCCC1C=Cc1ccccc1
InChIInChI=1S/C19H18ClFN2O/c20-15-9-11-18(17(21)13-15)22-19(24)23-12-4-7-16(23)10-8-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,16H,4,7,12H2,(H,22,24)
InChIKeyTZPXAEFRYWVYKL-UHFFFAOYSA-N
XLogP5.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.82
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)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-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
N-(4-chloro-2-fluorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032178
1-[(2-fluoro-4-methylphenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071284
(2S)-N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxamide
CID 129353248
(2S,6S)-N-(4-chloro-2-fluorophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 29056416
1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
(3aS,6aS)-N-(4-chloro-2-fluorophenyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide;dihydrochloride
CID 154900922
(2S)-N-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104556
4-chloro-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123101
1-(4-chloro-2-fluorobenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 42948700
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide (CID 91944133) is N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1F)N1CCCC1C=Cc1ccccc1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide?
The InChIKey is TZPXAEFRYWVYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O/c20-15-9-11-18(17(21)13-15)22-19(24)23-12-4-7-16(23)10-8-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,16H,4,7,12H2,(H,22,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide?
N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2-phenylethenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 91944133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).