N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

C13H14BrFN2O — CID 166231417

IUPACN-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1C2CCC1CC2
InChIInChI=1S/C13H14BrFN2O/c14-11-6-1-8(7-12(11)15)16-13(18)17-9-2-3-10(17)5-4-9/h1,6-7,9-10H,2-5H2,(H,16,18)
InChIKeyQNVFLVPQWUNDEG-UHFFFAOYSA-N
MW313.17 g/mol
LogP3.75
Rot. Bonds1

About N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 166231417) has the molecular formula C13H14BrFN2O and a molecular weight of 313.17 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
PubChem CID166231417
Molecular FormulaC13H14BrFN2O
Molecular Weight313.17 g/mol
Exact Mass312.03
IUPAC NameN-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)c(F)c1)N1C2CCC1CC2
InChIInChI=1S/C13H14BrFN2O/c14-11-6-1-8(7-12(11)15)16-13(18)17-9-2-3-10(17)5-4-9/h1,6-7,9-10H,2-5H2,(H,16,18)
InChIKeyQNVFLVPQWUNDEG-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 ≤ 500313.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-3-fluorophenyl)cyclopropanecarboxamide
CID 65436838
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
(2R)-1-[(4-bromo-3-fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79006578
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
(2R)-N-(4-bromo-3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75468005
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
(4R)-3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65437388
3-[(4-bromo-3-fluorophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65436999
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (CID 166231417) is N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is O=C(Nc1ccc(Br)c(F)c1)N1C2CCC1CC2.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is QNVFLVPQWUNDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O/c14-11-6-1-8(7-12(11)15)16-13(18)17-9-2-3-10(17)5-4-9/h1,6-7,9-10H,2-5H2,(H,16,18).
What are the key properties of N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 313.17 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-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 166231417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).