2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

C14H8BrF4NO — CID 63049440

IUPAC2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1Br
InChIInChI=1S/C14H8BrF4NO/c15-10-4-2-1-3-9(10)13(21)20-12-7-8(14(17,18)19)5-6-11(12)16/h1-7H,(H,20,21)
InChIKeyAJVLOTXASCRMTF-UHFFFAOYSA-N
MW362.12 g/mol
LogP4.86
Rot. Bonds2

About 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide

2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 63049440) has the molecular formula C14H8BrF4NO and a molecular weight of 362.12 g/mol. Its IUPAC name is 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
PubChem CID63049440
Molecular FormulaC14H8BrF4NO
Molecular Weight362.12 g/mol
Exact Mass360.97
IUPAC Name2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1Br
InChIInChI=1S/C14H8BrF4NO/c15-10-4-2-1-3-9(10)13(21)20-12-7-8(14(17,18)19)5-6-11(12)16/h1-7H,(H,20,21)
InChIKeyAJVLOTXASCRMTF-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

2-bromo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 4028135
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 81234405
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 103752711
N-(2,5-difluorophenyl)-2-(trifluoromethyl)benzamide
CID 7958863
2-fluoro-N-[2-fluoro-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-5-(trifluoromethyl)benzamide
CID 121264642
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
N-(2-bromophenyl)-3-(trifluoromethyl)benzamide
CID 2561322
2-bromo-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 26593339
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 2224741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide (CID 63049440) is 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AJVLOTXASCRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF4NO/c15-10-4-2-1-3-9(10)13(21)20-12-7-8(14(17,18)19)5-6-11(12)16/h1-7H,(H,20,21).
What are the key properties of 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide?
2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]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 2-bromo-N-[2-fluoro-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 63049440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).