2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide

C15H10F5NO — CID 60615705

IUPAC2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H10F5NO/c1-8-2-4-12(16)10(6-8)14(22)21-9-3-5-13(17)11(7-9)15(18,19)20/h2-7H,1H3,(H,21,22)
InChIKeyCCFGRSJZPHUJIF-UHFFFAOYSA-N
MW315.24 g/mol
LogP4.54
Rot. Bonds2

About 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide

2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide (PubChem CID 60615705) has the molecular formula C15H10F5NO and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
PubChem CID60615705
Molecular FormulaC15H10F5NO
Molecular Weight315.24 g/mol
Exact Mass315.07
IUPAC Name2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1
InChIInChI=1S/C15H10F5NO/c1-8-2-4-12(16)10(6-8)14(22)21-9-3-5-13(17)11(7-9)15(18,19)20/h2-7H,1H3,(H,21,22)
InChIKeyCCFGRSJZPHUJIF-UHFFFAOYSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
2-fluoro-N-(4-fluorophenyl)-5-methylbenzamide
CID 62509352
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-fluoro-N-(3-fluoro-4-hydroxyphenyl)-5-methylbenzamide
CID 64780308
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-5-methylbenzamide
CID 62510659
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
N-(3-amino-4-bromophenyl)-2-fluoro-5-methylbenzamide
CID 79767809
2-fluoro-5-methyl-N-(3-methyl-4-nitrophenyl)benzamide
CID 62512688

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide?
The IUPAC name of 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide (CID 60615705) is 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide is Cc1ccc(F)c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1.
What is the InChIKey of 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide?
The InChIKey is CCFGRSJZPHUJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5NO/c1-8-2-4-12(16)10(6-8)14(22)21-9-3-5-13(17)11(7-9)15(18,19)20/h2-7H,1H3,(H,21,22).
What are the key properties of 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide?
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide has a molecular weight of 315.24 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide is sourced from PubChem (CID 60615705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).