(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

C18H18ClFN2O — CID 51856380

IUPAC(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyVDOHAYXPZDOAOZ-KRWDZBQOSA-N
MW332.81 g/mol
LogP5.16
Rot. Bonds2

About (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide

(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (PubChem CID 51856380) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
PubChem CID51856380
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyVDOHAYXPZDOAOZ-KRWDZBQOSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)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

Pencycuron
CID 91692
1-(2-Chlorophenyl)-3-(P-tolyl)urea
CID 295010
1-(2-Chlorophenyl)-3-{2-[ethyl(3-methylphenyl)amino]ethyl}urea
CID 24768229
3-(2-Chloro-6-methylphenyl)-1,1-dibenzylurea
CID 311254
3-(4-Chloro-2-methylphenyl)-1,1-dibenzylurea
CID 4295485
1-Benzyl-3-(2-chlorophenyl)urea
CID 5129458
N-[1-(2-chloro-6-fluorobenzyl)-4-piperidinyl]-N'-(2,4-difluorophenyl)urea
CID 2810578
N-(2-chloro-4-methylphenyl)-3-phenylpyrrolidine-1-carbothioamide
CID 4228306
[(4-chlorophenyl)amino]-N-[2-(4-fluorophenyl)ethyl]carboxamide
CID 4177162
1-(4-Tert-butylphenyl)-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
CID 11501947
1-[1-(4-Chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 11684574
(R)-N2-(4-Chlorobenzyl)-N1-[2-chloro-4-(trifluoromethyl)phenyl]-N2-methylpyrrolidine-1,2-dicarboxamide
CID 25233754

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide (CID 51856380) is (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H]2c2cccc(F)c2)c(Cl)c1.
What is the InChIKey of (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
The InChIKey is VDOHAYXPZDOAOZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-12-7-8-16(15(19)10-12)21-18(23)22-9-3-6-17(22)13-4-2-5-14(20)11-13/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide?
(2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide has a molecular weight of 332.81 g/mol, XLogP of 5.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-methylphenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 51856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).