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

C25H24ClFN2O2 — CID 100683953

IUPAC1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C25H24ClFN2O2/c26-20-7-6-19(24(27)16-20)17-29-14-12-18(13-15-29)25(30)28-21-8-10-23(11-9-21)31-22-4-2-1-3-5-22/h1-11,16,18H,12-15,17H2,(H,28,30)
InChIKeyPKAFLWHRNSJWMB-UHFFFAOYSA-N
MW438.93 g/mol
LogP6.12
Rot. Bonds6

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

1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (PubChem CID 100683953) has the molecular formula C25H24ClFN2O2 and a molecular weight of 438.93 g/mol. Its IUPAC name is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
PubChem CID100683953
Molecular FormulaC25H24ClFN2O2
Molecular Weight438.93 g/mol
Exact Mass438.15
IUPAC Name1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C25H24ClFN2O2/c26-20-7-6-19(24(27)16-20)17-29-14-12-18(13-15-29)25(30)28-21-8-10-23(11-9-21)31-22-4-2-1-3-5-22/h1-11,16,18H,12-15,17H2,(H,28,30)
InChIKeyPKAFLWHRNSJWMB-UHFFFAOYSA-N
XLogP6.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.93
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 99826811
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-[(4-chloro-2-fluorophenyl)methyl]-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 100684708
N-(4-bromo-3-chlorophenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100685849
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100686065
1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919697
N-(4-bromo-3-methylphenyl)-1-[(4-chloro-2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 100684851
1-[(4-chloro-2-fluorophenyl)methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 133189759
N-(3-chloro-4-fluorophenyl)-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43923094
1-[(4-chloro-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 100684049
1-[(2,4-dichlorophenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919622

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide (CID 100683953) is 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
The InChIKey is PKAFLWHRNSJWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN2O2/c26-20-7-6-19(24(27)16-20)17-29-14-12-18(13-15-29)25(30)28-21-8-10-23(11-9-21)31-22-4-2-1-3-5-22/h1-11,16,18H,12-15,17H2,(H,28,30).
What are the key properties of 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide?
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide has a molecular weight of 438.93 g/mol, XLogP of 6.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 100683953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).