N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide

C17H13F6NO — CID 2094760

IUPACN-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO/c1-9-3-4-10(2)14(5-9)24-15(25)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h3-8H,1-2H3,(H,24,25)
InChIKeyUKCLROOIONIEGU-UHFFFAOYSA-N
MW361.29 g/mol
LogP5.59
Rot. Bonds2

About N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide

N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 2094760) has the molecular formula C17H13F6NO and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
PubChem CID2094760
Molecular FormulaC17H13F6NO
Molecular Weight361.29 g/mol
Exact Mass361.09
IUPAC NameN-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
InChIInChI=1S/C17H13F6NO/c1-9-3-4-10(2)14(5-9)24-15(25)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h3-8H,1-2H3,(H,24,25)
InChIKeyUKCLROOIONIEGU-UHFFFAOYSA-N
XLogP5.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
4-fluoro-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 66480354
N-(5-chloro-4-hydroxy-2-methylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 18684513
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
methyl 4-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylbenzoate
CID 46530264
N-(5-methyl-2-pyridinyl)-3,5-bis(trifluoromethyl)benzamide
CID 43016681
N-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 110691132
N-[2-(3-methylphenoxy)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 2542213
1-(2,5-dimethylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 4101764
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-[3-(diaminomethylideneamino)-4-methylphenyl]-3,5-bis(trifluoromethyl)benzamide
CID 11553181
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide (CID 2094760) is N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide is Cc1ccc(C)c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is UKCLROOIONIEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F6NO/c1-9-3-4-10(2)14(5-9)24-15(25)11-6-12(16(18,19)20)8-13(7-11)17(21,22)23/h3-8H,1-2H3,(H,24,25).
What are the key properties of N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide?
N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 361.29 g/mol, XLogP of 5.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 2094760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).