N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide

C19H18ClFN2O3 — CID 71745053

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(Cl)c1)C1(O)CCCN(c2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O3/c20-14-9-13(10-15(21)11-14)12-22-17(24)19(26)7-4-8-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-6,9-11,26H,4,7-8,12H2,(H,22,24)
InChIKeyYBCYNOQGBXZNIE-UHFFFAOYSA-N
MW376.82 g/mol
LogP2.65
Rot. Bonds4

About N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide

N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide (PubChem CID 71745053) has the molecular formula C19H18ClFN2O3 and a molecular weight of 376.82 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
PubChem CID71745053
Molecular FormulaC19H18ClFN2O3
Molecular Weight376.82 g/mol
Exact Mass376.10
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(Cl)c1)C1(O)CCCN(c2ccccc2)C1=O
InChIInChI=1S/C19H18ClFN2O3/c20-14-9-13(10-15(21)11-14)12-22-17(24)19(26)7-4-8-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-6,9-11,26H,4,7-8,12H2,(H,22,24)
InChIKeyYBCYNOQGBXZNIE-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide (CID 71745053) is N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide is O=C(NCc1cc(F)cc(Cl)c1)C1(O)CCCN(c2ccccc2)C1=O.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide?
The InChIKey is YBCYNOQGBXZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O3/c20-14-9-13(10-15(21)11-14)12-22-17(24)19(26)7-4-8-23(18(19)25)16-5-2-1-3-6-16/h1-3,5-6,9-11,26H,4,7-8,12H2,(H,22,24).
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide?
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide has a molecular weight of 376.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 71745053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).