N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide

C13H13BrFNO — CID 65430122

IUPACN-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C1CC=CCC1
InChIInChI=1S/C13H13BrFNO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17)
InChIKeyFRYFGGUPUUQJNZ-UHFFFAOYSA-N
MW298.16 g/mol
LogP3.88
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide

N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 65430122) has the molecular formula C13H13BrFNO and a molecular weight of 298.16 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
PubChem CID65430122
Molecular FormulaC13H13BrFNO
Molecular Weight298.16 g/mol
Exact Mass297.02
IUPAC NameN-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)C1CC=CCC1
InChIInChI=1S/C13H13BrFNO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17)
InChIKeyFRYFGGUPUUQJNZ-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.16
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(4-bromo-3-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 103824527
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
(1R)-N-naphthalen-2-ylcyclohex-3-ene-1-carboxamide
CID 8762294
(1R)-N-(2-bromo-6-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 97007823
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
N-(4-acetamidophenyl)cyclohex-3-ene-1-carboxamide
CID 17394995
2-[(4-bromo-3-fluorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 65436092
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
4-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]benzamide
CID 8885141
4-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 103791574

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide (CID 65430122) is N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide is O=C(Nc1ccc(Br)c(F)c1)C1CC=CCC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is FRYFGGUPUUQJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNO/c14-11-7-6-10(8-12(11)15)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17).
What are the key properties of N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide?
N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 298.16 g/mol, XLogP of 3.88, 2 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)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 65430122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).