N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

C16H13BrFNO — CID 78971301

IUPACN-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H13BrFNO/c17-14-8-11(18)6-7-15(14)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)
InChIKeyZALVLPWGRIXLJT-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.33
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 78971301) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID78971301
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC NameN-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1Br)C1CC1c1ccccc1
InChIInChI=1S/C16H13BrFNO/c17-14-8-11(18)6-7-15(14)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20)
InChIKeyZALVLPWGRIXLJT-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
N-(2-amino-4-fluorophenyl)-4-[[(1R)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325533
N-(2-amino-4-fluorophenyl)-4-[[(1R,2S)-2-phenylcyclopropanecarbonyl]amino]benzamide
CID 139325532
N-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55476894
trans-(1S,2S)-2-(3-fluorophenyl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 118736163
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
trans-(1R,2R)-N-(5-bromo-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 67045175
(2-bromo-4-fluorophenyl)urea
CID 28939155
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide (CID 78971301) is N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(F)cc1Br)C1CC1c1ccccc1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is ZALVLPWGRIXLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c17-14-8-11(18)6-7-15(14)19-16(20)13-9-12(13)10-4-2-1-3-5-10/h1-8,12-13H,9H2,(H,19,20).
What are the key properties of N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 334.19 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 78971301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).