N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide

C12H12BrF3N2O — CID 171854817

IUPACN-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H12BrF3N2O/c13-9-2-1-8(7-10(9)14)17-11(19)18-5-3-12(15,16)4-6-18/h1-2,7H,3-6H2,(H,17,19)
InChIKeyCYBDDQFCEUXFJS-UHFFFAOYSA-N
MW337.14 g/mol
LogP3.85
Rot. Bonds1

About N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide

N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide (PubChem CID 171854817) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
PubChem CID171854817
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C12H12BrF3N2O/c13-9-2-1-8(7-10(9)14)17-11(19)18-5-3-12(15,16)4-6-18/h1-2,7H,3-6H2,(H,17,19)
InChIKeyCYBDDQFCEUXFJS-UHFFFAOYSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
4-[(4-bromo-3-fluorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 65437199
N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4,4-difluoropiperidine-1-carboxamide
CID 118766001
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
N-(4-bromo-5-fluoro-2-methylphenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171916601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide (CID 171854817) is N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide is O=C(Nc1ccc(Br)c(F)c1)N1CCC(F)(F)CC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide?
The InChIKey is CYBDDQFCEUXFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c13-9-2-1-8(7-10(9)14)17-11(19)18-5-3-12(15,16)4-6-18/h1-2,7H,3-6H2,(H,17,19).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide?
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide has a molecular weight of 337.14 g/mol, XLogP of 3.85, 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)-4,4-difluoropiperidine-1-carboxamide is sourced from PubChem (CID 171854817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).