N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

C14H15BrFNO — CID 79139023

IUPACN-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1C2CCCCC21
InChIInChI=1S/C14H15BrFNO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyWHMWROSHAYTMSX-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.96
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 79139023) has the molecular formula C14H15BrFNO and a molecular weight of 312.18 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID79139023
Molecular FormulaC14H15BrFNO
Molecular Weight312.18 g/mol
Exact Mass311.03
IUPAC NameN-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1C2CCCCC21
InChIInChI=1S/C14H15BrFNO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18)
InChIKeyWHMWROSHAYTMSX-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-2-fluorophenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 113256407
(1S,2R,3R,4S)-3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 50898191
N-(4-bromo-2-carbamothioylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 82704193
N-(4-bromo-2-ethylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81004246
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
CID 114457942
(1R,2S,3R,4S)-3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11880219
3-[(4-bromo-2-fluorophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2885929
N-(4-bromo-2-fluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119673458
(2R)-N-(4-bromo-2-fluorophenyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 31407732
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
N-(5-amino-2-fluorophenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81466790

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 79139023) is N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is O=C(Nc1ccc(Br)cc1F)C1C2CCCCC21.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is WHMWROSHAYTMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO/c15-8-5-6-12(11(16)7-8)17-14(18)13-9-3-1-2-4-10(9)13/h5-7,9-10,13H,1-4H2,(H,17,18).
What are the key properties of N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 312.18 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 79139023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).