N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide

C14H8BrF4NO — CID 104779331

IUPACN-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrF4NO/c15-11-7-10(4-5-12(11)16)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyKEKILXFBAKFDQM-UHFFFAOYSA-N
MW362.12 g/mol
LogP4.86
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide

N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide (PubChem CID 104779331) has the molecular formula C14H8BrF4NO and a molecular weight of 362.12 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
PubChem CID104779331
Molecular FormulaC14H8BrF4NO
Molecular Weight362.12 g/mol
Exact Mass360.97
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(F)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8BrF4NO/c15-11-7-10(4-5-12(11)16)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21)
InChIKeyKEKILXFBAKFDQM-UHFFFAOYSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
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CID 26289494
3-[(4-bromobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54791205
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 2359720
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide (CID 104779331) is N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(F)c(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is KEKILXFBAKFDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO/c15-11-7-10(4-5-12(11)16)20-13(21)8-2-1-3-9(6-8)14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide?
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 362.12 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 104779331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).