N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C19H19ClF2N2O — CID 45019138

IUPACN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19ClF2N2O/c20-17-11-16(5-6-18(17)22)23-19(25)14-7-9-24(10-8-14)12-13-1-3-15(21)4-2-13/h1-6,11,14H,7-10,12H2,(H,23,25)
InChIKeyQNLHAMGLHPYNIT-UHFFFAOYSA-N
MW364.82 g/mol
LogP4.47
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 45019138) has the molecular formula C19H19ClF2N2O and a molecular weight of 364.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID45019138
Molecular FormulaC19H19ClF2N2O
Molecular Weight364.82 g/mol
Exact Mass364.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C19H19ClF2N2O/c20-17-11-16(5-6-18(17)22)23-19(25)14-7-9-24(10-8-14)12-13-1-3-15(21)4-2-13/h1-6,11,14H,7-10,12H2,(H,23,25)
InChIKeyQNLHAMGLHPYNIT-UHFFFAOYSA-N
XLogP4.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.82
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 45019138) is N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QNLHAMGLHPYNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N2O/c20-17-11-16(5-6-18(17)22)23-19(25)14-7-9-24(10-8-14)12-13-1-3-15(21)4-2-13/h1-6,11,14H,7-10,12H2,(H,23,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 364.82 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45019138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).