N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide

C19H18ClF3N2O — CID 17152284

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18ClF3N2O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(26)13-8-10-25(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,24,26)
InChIKeyKSFKBJFJPBHPPC-UHFFFAOYSA-N
MW382.81 g/mol
LogP5.21
Rot. Bonds3

About N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide (PubChem CID 17152284) has the molecular formula C19H18ClF3N2O and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
PubChem CID17152284
Molecular FormulaC19H18ClF3N2O
Molecular Weight382.81 g/mol
Exact Mass382.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H18ClF3N2O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(26)13-8-10-25(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,24,26)
InChIKeyKSFKBJFJPBHPPC-UHFFFAOYSA-N
XLogP5.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.81
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118846
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110424566
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 43924053
1-(4-tert-butylbenzoyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 126059758
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
cis-(1S,2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 819921
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 2200897
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600330
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
3-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 66033051
1-[(4-chlorophenyl)methylsulfonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 92642592

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide (CID 17152284) is N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide?
The InChIKey is KSFKBJFJPBHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(26)13-8-10-25(11-9-13)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2,(H,24,26).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 17152284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).