2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide

C20H12F5NO — CID 151067192

IUPAC2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(F)cccc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H12F5NO/c21-16-6-2-1-4-14(16)19(27)26-13-10-8-12(9-11-13)18-15(20(23,24)25)5-3-7-17(18)22/h1-11H,(H,26,27)
InChIKeyMHJHWVKRYVKMNE-UHFFFAOYSA-N
MW377.31 g/mol
LogP5.90
Rot. Bonds3

About 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide

2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide (PubChem CID 151067192) has the molecular formula C20H12F5NO and a molecular weight of 377.31 g/mol. Its IUPAC name is 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
PubChem CID151067192
Molecular FormulaC20H12F5NO
Molecular Weight377.31 g/mol
Exact Mass377.08
IUPAC Name2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2c(F)cccc2C(F)(F)F)cc1)c1ccccc1F
InChIInChI=1S/C20H12F5NO/c21-16-6-2-1-4-14(16)19(27)26-13-10-8-12(9-11-13)18-15(20(23,24)25)5-3-7-17(18)22/h1-11H,(H,26,27)
InChIKeyMHJHWVKRYVKMNE-UHFFFAOYSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.31
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
N-(4-hydroxyphenyl)-2-(trifluoromethyl)benzamide
CID 28739363
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
2-fluoro-N-[4-[4-fluoro-2-(trifluoromethyl)anilino]phenyl]benzamide
CID 90396008
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368
2,3-difluoro-N-[4-[2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11235393
N-[4-(thiadiazol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 84579277
2-fluoro-N-[6-[2-(trifluoromethyl)anilino]-3-pyridinyl]benzamide
CID 113020153
N-[4-(carbamoylamino)phenyl]-2-(trifluoromethyl)benzamide
CID 46530485
2-fluoro-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 759350
2,3-difluoro-N-[4-[5-fluoro-2-(trifluoromethyl)indolizin-3-yl]phenyl]benzamide
CID 11487330
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 55765678

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide (CID 151067192) is 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide is O=C(Nc1ccc(-c2c(F)cccc2C(F)(F)F)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide?
The InChIKey is MHJHWVKRYVKMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5NO/c21-16-6-2-1-4-14(16)19(27)26-13-10-8-12(9-11-13)18-15(20(23,24)25)5-3-7-17(18)22/h1-11H,(H,26,27).
What are the key properties of 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide?
2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide has a molecular weight of 377.31 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[2-fluoro-6-(trifluoromethyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 151067192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).