(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide

C18H18F2N2O — CID 144912115

IUPAC(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)c1F
InChIInChI=1S/C18H18F2N2O/c1-11-5-2-3-6-13(11)14-7-4-8-15(17(14)20)22-18(23)16-9-12(19)10-21-16/h2-8,12,16,21H,9-10H2,1H3,(H,22,23)/t12-,16+/m1/s1
InChIKeyDTAVMHDEFZFXRM-WBMJQRKESA-N
MW316.35 g/mol
LogP3.44
Rot. Bonds3

About (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 144912115) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID144912115
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC Name(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1ccccc1-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)c1F
InChIInChI=1S/C18H18F2N2O/c1-11-5-2-3-6-13(11)14-7-4-8-15(17(14)20)22-18(23)16-9-12(19)10-21-16/h2-8,12,16,21H,9-10H2,1H3,(H,22,23)/t12-,16+/m1/s1
InChIKeyDTAVMHDEFZFXRM-WBMJQRKESA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-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

(S)-2-(2-(3,5-Difluorophenyl)acetamido)-N-((S)-5-methyl-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)propanamide
CID 11454028
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Prolinamide
CID 445368
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(m-tolyl)acetamide
CID 10359019
(R)-2-(4-fluoro-3,5-dimethylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 24871537
(r)-2-(4-Fluoro-3,5-dimethylphenylamino)-6-(4-fluoro-3-methylbenzylamino)-n-hydroxyhexanamide
CID 25007684
(R)-6-(4-fluoro-3-methylbenzylamino)-2-(4-fluoro-3-methylphenylamino)-N-hydroxyhexanamide
CID 25007687
(R)-2-(4-fluoro-3-methylphenylamino)-6-(4-fluorobenzylamino)-N-hydroxyhexanamide
CID 54582964
3-[(4-Fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 2877115
Leucine-beta-naphthylamide
CID 102475
6-Ammonio-N-(Trifluoroacetyl)-L-Norleucyl-N-[4-(1-Methylethyl)phenyl]-L-Phenylalaninamide
CID 445370
N-(Trifluoroacetyl)-L-Phenylalanyl-N-[4-(Trifluoromethyl)phenyl]-L-Alaninamide
CID 5497044
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide (CID 144912115) is (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide is Cc1ccccc1-c1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2)c1F.
What is the InChIKey of (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is DTAVMHDEFZFXRM-WBMJQRKESA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-11-5-2-3-6-13(11)14-7-4-8-15(17(14)20)22-18(23)16-9-12(19)10-21-16/h2-8,12,16,21H,9-10H2,1H3,(H,22,23)/t12-,16+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-[2-fluoro-3-(2-methylphenyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 144912115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).