N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide

C15H9F3N2O — CID 9115538

IUPACN-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h1-8H,(H,20,21)
InChIKeyIRVLTTAMTLHAAO-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.83
Rot. Bonds2

About N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide

N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide (PubChem CID 9115538) has the molecular formula C15H9F3N2O and a molecular weight of 290.24 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
PubChem CID9115538
Molecular FormulaC15H9F3N2O
Molecular Weight290.24 g/mol
Exact Mass290.07
IUPAC NameN-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H9F3N2O/c16-15(17,18)12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h1-8H,(H,20,21)
InChIKeyIRVLTTAMTLHAAO-UHFFFAOYSA-N
XLogP3.83
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
N-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-4-(trifluoromethyl)benzamide
CID 108933525
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109050202
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-cyanophenyl)propanediamide
CID 108956408
N-(2-cyanophenyl)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 8697272
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide (CID 9115538) is N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide is N#Cc1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is IRVLTTAMTLHAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O/c16-15(17,18)12-7-5-10(6-8-12)14(21)20-13-4-2-1-3-11(13)9-19/h1-8H,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide?
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 290.24 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 9115538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).