N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide

C12H13BrF2N2O — CID 107610837

IUPACN-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)N1CCCCC1
InChIInChI=1S/C12H13BrF2N2O/c13-8-6-10(15)11(7-9(8)14)16-12(18)17-4-2-1-3-5-17/h6-7H,1-5H2,(H,16,18)
InChIKeyZMUWLBFDECGKON-UHFFFAOYSA-N
MW319.15 g/mol
LogP3.75
Rot. Bonds1

About N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide

N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide (PubChem CID 107610837) has the molecular formula C12H13BrF2N2O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
PubChem CID107610837
Molecular FormulaC12H13BrF2N2O
Molecular Weight319.15 g/mol
Exact Mass318.02
IUPAC NameN-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(F)c(Br)cc1F)N1CCCCC1
InChIInChI=1S/C12H13BrF2N2O/c13-8-6-10(15)11(7-9(8)14)16-12(18)17-4-2-1-3-5-17/h6-7H,1-5H2,(H,16,18)
InChIKeyZMUWLBFDECGKON-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
4,5-difluoro-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 62865922
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-(2,3,4-trifluorophenyl)azepane-1-carboxamide
CID 47193814
N-(2-bromo-5-methoxyphenyl)piperidine-1-carboxamide
CID 79156264
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722
1-(azepan-1-yl)-2-(5-bromo-4-fluoro-2-methylanilino)ethanone
CID 103238791
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
2-bromo-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107610790

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide (CID 107610837) is N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide is O=C(Nc1cc(F)c(Br)cc1F)N1CCCCC1.
What is the InChIKey of N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide?
The InChIKey is ZMUWLBFDECGKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF2N2O/c13-8-6-10(15)11(7-9(8)14)16-12(18)17-4-2-1-3-5-17/h6-7H,1-5H2,(H,16,18).
What are the key properties of N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide?
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide has a molecular weight of 319.15 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 107610837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).