4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide

C18H16ClFN2O2 — CID 95771187

IUPAC4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide
SMILESO=C1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C(c2ccccc2)N1
InChIInChI=1S/C18H16ClFN2O2/c19-12-6-7-13(14(20)10-12)18(24)21-15-8-9-16(23)22-17(15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2,(H,21,24)(H,22,23)/t15-,17?/m1/s1
InChIKeyJPTRECGBKJWDOX-LDCVWXEPSA-N
MW346.79 g/mol
LogP3.23
Rot. Bonds3

About 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide

4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide (PubChem CID 95771187) has the molecular formula C18H16ClFN2O2 and a molecular weight of 346.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide
PubChem CID95771187
Molecular FormulaC18H16ClFN2O2
Molecular Weight346.79 g/mol
Exact Mass346.09
IUPAC Name4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide
SMILESO=C1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C(c2ccccc2)N1
InChIInChI=1S/C18H16ClFN2O2/c19-12-6-7-13(14(20)10-12)18(24)21-15-8-9-16(23)22-17(15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2,(H,21,24)(H,22,23)/t15-,17?/m1/s1
InChIKeyJPTRECGBKJWDOX-LDCVWXEPSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 146147900
4-chloro-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 146130814
1,2,5-trimethyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrrole-3-carboxamide
CID 146130842
2-chloro-3-fluoro-N-[(2S,3R)-2-(1-methylpyrazol-4-yl)-6-oxopiperidin-3-yl]benzamide
CID 146136529
2-(2,2-difluoroethyl)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130848
2-(dimethylamino)-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyridine-4-carboxamide
CID 146130820
5-ethyl-1-methyl-N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]pyrazole-3-carboxamide
CID 146130844
4-chloro-N-cycloheptyl-2-fluorobenzamide
CID 26002204
(5R,6S)-5-[(2,5-difluoro-4-pyridinyl)methylamino]-6-phenylpiperidin-2-one;2,2,2-trifluoroacetic acid
CID 146133740
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
CID 116517023
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
4-(3-chloro-4-fluorophenyl)-5-phenylpyrrolidin-2-one
CID 81157204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide (CID 95771187) is 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide is O=C1CC[C@@H](NC(=O)c2ccc(Cl)cc2F)C(c2ccccc2)N1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide?
The InChIKey is JPTRECGBKJWDOX-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H16ClFN2O2/c19-12-6-7-13(14(20)10-12)18(24)21-15-8-9-16(23)22-17(15)11-4-2-1-3-5-11/h1-7,10,15,17H,8-9H2,(H,21,24)(H,22,23)/t15-,17?/m1/s1.
What are the key properties of 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide?
4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide has a molecular weight of 346.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(2R,3R)-6-oxo-2-phenylpiperidin-3-yl]benzamide is sourced from PubChem (CID 95771187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).