(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide

C13H15ClF2N2O — CID 144912516

IUPAC(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](F)CC1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClF2N2O/c1-18-7-9(15)5-11(18)13(19)17-6-8-3-2-4-10(14)12(8)16/h2-4,9,11H,5-7H2,1H3,(H,17,19)/t9-,11?/m1/s1
InChIKeyOQFSMMROAWGKDS-BFHBGLAWSA-N
MW288.73 g/mol
LogP2.14
Rot. Bonds3

About (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide

(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide (PubChem CID 144912516) has the molecular formula C13H15ClF2N2O and a molecular weight of 288.73 g/mol. Its IUPAC name is (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
PubChem CID144912516
Molecular FormulaC13H15ClF2N2O
Molecular Weight288.73 g/mol
Exact Mass288.08
IUPAC Name(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](F)CC1C(=O)NCc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClF2N2O/c1-18-7-9(15)5-11(18)13(19)17-6-8-3-2-4-10(14)12(8)16/h2-4,9,11H,5-7H2,1H3,(H,17,19)/t9-,11?/m1/s1
InChIKeyOQFSMMROAWGKDS-BFHBGLAWSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-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

1-[2-(4-acetylnaphthalen-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 123994505
(2R)-N-[(3-chloro-2-fluorophenyl)methyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 129395726
(2S,4R)-1-[2-(3-acetylindol-1-yl)propanoyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 118323454
(2S)-N-[(3-chloro-2-fluorophenyl)methyl]-1-ethylpyrrolidine-2-carboxamide
CID 131911519
1-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 121416136
(2S,4R)-2-N-(1-acetylindol-3-yl)-1-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-1,2-dicarboxamide
CID 118322398
[3-acetyl-1-[2-[2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-6-yl]-phenylphosphinic acid
CID 123887546
(2S,4R)-1-[2-(14-acetyl-12-azatetracyclo[8.5.2.24,7.011,15]nonadeca-1(15),4,6,10,13,16,18-heptaen-12-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 118330253
(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoro-4-methylpyrrolidine-1-carboxylic acid
CID 141341383
(2S,4R)-1-[2-(3-acetyl-6-diaminophosphorylindol-1-yl)-1-hydroxyethyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide
CID 130306491
(2S,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpyrrolidine-2-carboxamide
CID 130322552
(2S,3S,4S)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoro-3-methoxypyrrolidine-1-carboxylic acid
CID 141341408

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide (CID 144912516) is (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide is CN1C[C@H](F)CC1C(=O)NCc1cccc(Cl)c1F.
What is the InChIKey of (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide?
The InChIKey is OQFSMMROAWGKDS-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H15ClF2N2O/c1-18-7-9(15)5-11(18)13(19)17-6-8-3-2-4-10(14)12(8)16/h2-4,9,11H,5-7H2,1H3,(H,17,19)/t9-,11?/m1/s1.
What are the key properties of (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide?
(4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide has a molecular weight of 288.73 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 144912516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).