(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide

C31H25ClF2N2O3 — CID 143819937

IUPAC(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(F)cc2[C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C31H25ClF2N2O3/c1-18-8-11-24(12-9-18)39-27-13-10-22(34)16-26(27)30-29(31(38)35-23-7-3-5-20(32)15-23)25(17-28(37)36-30)19-4-2-6-21(33)14-19/h2-16,25,29-30H,17H2,1H3,(H,35,38)(H,36,37)/t25-,29?,30+/m0/s1
InChIKeyHEOOWNWNZKFKIW-NIJCYXJWSA-N
MW547.00 g/mol
LogP7.32
Rot. Bonds6

About (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide

(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 143819937) has the molecular formula C31H25ClF2N2O3 and a molecular weight of 547.00 g/mol. Its IUPAC name is (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
PubChem CID143819937
Molecular FormulaC31H25ClF2N2O3
Molecular Weight547.00 g/mol
Exact Mass546.15
IUPAC Name(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(Oc2ccc(F)cc2[C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C31H25ClF2N2O3/c1-18-8-11-24(12-9-18)39-27-13-10-22(34)16-26(27)30-29(31(38)35-23-7-3-5-20(32)15-23)25(17-28(37)36-30)19-4-2-6-21(33)14-19/h2-16,25,29-30H,17H2,1H3,(H,35,38)(H,36,37)/t25-,29?,30+/m0/s1
InChIKeyHEOOWNWNZKFKIW-NIJCYXJWSA-N
XLogP7.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.00
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-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

(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143820122
(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(oxan-4-yloxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143819947
(2S,4R)-N,4-bis(3-chlorophenyl)-2-(2-hydroxy-5-methylphenyl)-6-oxopiperidine-3-carboxamide;ethane
CID 143819886
(3R,4'S,6'R)-6-chloro-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]-4'-(3-fluorophenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 70999497
(2R,3S,4S)-4-(5-chlorocyclohexa-2,4-dien-1-yl)-N-(3-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 173476221
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
(3R,4'R,6'R)-6-chloro-4'-(5-chloro-2-fluorophenyl)-6'-[5-fluoro-2-(4-methylphenoxy)phenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 143819896
chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 143538627
3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(3R,5R)-N,3-bis(3-chlorophenyl)-5-(5-methylcyclohexa-2,4-dien-1-yl)-7-oxoazepane-4-carboxamide
CID 70639487
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
1-N-(3-fluorophenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109151076

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide (CID 143819937) is (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide is Cc1ccc(Oc2ccc(F)cc2[C@H]2NC(=O)C[C@@H](c3cccc(F)c3)C2C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is HEOOWNWNZKFKIW-NIJCYXJWSA-N. The full InChI is InChI=1S/C31H25ClF2N2O3/c1-18-8-11-24(12-9-18)39-27-13-10-22(34)16-26(27)30-29(31(38)35-23-7-3-5-20(32)15-23)25(17-28(37)36-30)19-4-2-6-21(33)14-19/h2-16,25,29-30H,17H2,1H3,(H,35,38)(H,36,37)/t25-,29?,30+/m0/s1.
What are the key properties of (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide?
(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 547.00 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143819937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).