N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

C13H13BrF4N2O — CID 171854816

IUPACN-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13BrF4N2O/c14-10-2-1-9(7-11(10)15)19-12(21)20-5-3-8(4-6-20)13(16,17)18/h1-2,7-8H,3-6H2,(H,19,21)
InChIKeyKLHYCPBVZPVROZ-UHFFFAOYSA-N
MW369.16 g/mol
LogP4.39
Rot. Bonds1

About N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide

N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 171854816) has the molecular formula C13H13BrF4N2O and a molecular weight of 369.16 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID171854816
Molecular FormulaC13H13BrF4N2O
Molecular Weight369.16 g/mol
Exact Mass368.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13BrF4N2O/c14-10-2-1-9(7-11(10)15)19-12(21)20-5-3-8(4-6-20)13(16,17)18/h1-2,7-8H,3-6H2,(H,19,21)
InChIKeyKLHYCPBVZPVROZ-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.16
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 47456948
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide (CID 171854816) is N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is O=C(Nc1ccc(Br)c(F)c1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is KLHYCPBVZPVROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF4N2O/c14-10-2-1-9(7-11(10)15)19-12(21)20-5-3-8(4-6-20)13(16,17)18/h1-2,7-8H,3-6H2,(H,19,21).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide?
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 369.16 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 171854816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).