N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide

C19H20ClFN2O — CID 17152804

IUPACN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-6-2-1-5-15(16)13-22-19(24)14-9-11-23(12-10-14)18-8-4-3-7-17(18)21/h1-8,14H,9-13H2,(H,22,24)
InChIKeyYQGDWBXKNZGXBA-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.01
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide (PubChem CID 17152804) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
PubChem CID17152804
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20ClFN2O/c20-16-6-2-1-5-15(16)13-22-19(24)14-9-11-23(12-10-14)18-8-4-3-7-17(18)21/h1-8,14H,9-13H2,(H,22,24)
InChIKeyYQGDWBXKNZGXBA-UHFFFAOYSA-N
XLogP4.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
1-N-[(2-chlorophenyl)methyl]-4-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109148495
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-butyl-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152559
1-(4-chlorobenzoyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 9165314
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
N-[(2-chlorophenyl)methyl]thiane-4-carboxamide
CID 110851376
1-(2-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 17152558
1-[(2-chlorophenyl)methyl]-N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45007673

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide (CID 17152804) is N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YQGDWBXKNZGXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c20-16-6-2-1-5-15(16)13-22-19(24)14-9-11-23(12-10-14)18-8-4-3-7-17(18)21/h1-8,14H,9-13H2,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 346.83 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).