(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

C20H22ClFN2O4 — CID 100878765

IUPAC(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C20H22ClFN2O4/c1-12(18(25)17-13(21)6-4-7-14(17)22)23-19(26)15-8-2-3-10-24(15)20(27)16-9-5-11-28-16/h4-7,9,11-12,15,18,25H,2-3,8,10H2,1H3,(H,23,26)/t12-,15+,18+/m0/s1
InChIKeyMHYIRIXGIKETMY-WBHUJUFNSA-N
MW408.86 g/mol
LogP3.31
Rot. Bonds5

About (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide

(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 100878765) has the molecular formula C20H22ClFN2O4 and a molecular weight of 408.86 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
PubChem CID100878765
Molecular FormulaC20H22ClFN2O4
Molecular Weight408.86 g/mol
Exact Mass408.13
IUPAC Name(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@@H](O)c1c(F)cccc1Cl
InChIInChI=1S/C20H22ClFN2O4/c1-12(18(25)17-13(21)6-4-7-14(17)22)23-19(26)15-8-2-3-10-24(15)20(27)16-9-5-11-28-16/h4-7,9,11-12,15,18,25H,2-3,8,10H2,1H3,(H,23,26)/t12-,15+,18+/m0/s1
InChIKeyMHYIRIXGIKETMY-WBHUJUFNSA-N
XLogP3.31
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-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

(2S)-1-(furan-2-carbonyl)-N-[(1S)-1-(furan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 32766924
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
N-[2-(2,3-dichlorophenyl)ethyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55799184
1-(furan-2-carbonyl)-N-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 87045075
(2S)-1-(furan-2-carbonyl)-N-[(2-propan-2-yloxyphenyl)methyl]piperidine-2-carboxamide
CID 52524693
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[1-(furan-2-carbonyl)piperidin-2-yl]methanone
CID 55974120
N-[2-chloro-5-(methylcarbamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 87046974
1-(furan-2-carbonyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 46399806
4-[[1-(furan-2-carbonyl)piperidine-2-carbonyl]amino]butanoic acid
CID 119170892
(2S)-1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 94816747
1-(furan-2-carbonyl)-N-(3-phenylprop-2-ynyl)piperidine-2-carboxamide
CID 51089877
1-(furan-2-carbonyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 55975411

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 100878765) is (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is C[C@H](NC(=O)[C@H]1CCCCN1C(=O)c1ccco1)[C@@H](O)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is MHYIRIXGIKETMY-WBHUJUFNSA-N. The full InChI is InChI=1S/C20H22ClFN2O4/c1-12(18(25)17-13(21)6-4-7-14(17)22)23-19(26)15-8-2-3-10-24(15)20(27)16-9-5-11-28-16/h4-7,9,11-12,15,18,25H,2-3,8,10H2,1H3,(H,23,26)/t12-,15+,18+/m0/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide?
(2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-(2-chloro-6-fluorophenyl)-1-hydroxypropan-2-yl]-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 100878765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).