4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

C17H10F3N5O — CID 4827986

IUPAC4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)13-5-6-15(25-10-22-9-23-25)14(7-13)24-16(26)12-3-1-11(8-21)2-4-12/h1-7,9-10H,(H,24,26)
InChIKeyYDAQKIBSAQNLMX-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.41
Rot. Bonds3

About 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide

4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 4827986) has the molecular formula C17H10F3N5O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID4827986
Molecular FormulaC17H10F3N5O
Molecular Weight357.30 g/mol
Exact Mass357.08
IUPAC Name4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
InChIInChI=1S/C17H10F3N5O/c18-17(19,20)13-5-6-15(25-10-22-9-23-25)14(7-13)24-16(26)12-3-1-11(8-21)2-4-12/h1-7,9-10H,(H,24,26)
InChIKeyYDAQKIBSAQNLMX-UHFFFAOYSA-N
XLogP3.41
TPSA83.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-N-[2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 8097905
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 24686140
7-Methyl-4-(3-[1,2,4]triazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 18548737
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2334526
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
2-(4-oxo-3H-phthalazin-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 16277976
4-[2-[2-Oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]tetrazol-5-yl]benzamide
CID 16326832
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687410
N-(3,4-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 25162576
N-[3-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 8753002

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide (CID 4827986) is 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is N#Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1.
What is the InChIKey of 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is YDAQKIBSAQNLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N5O/c18-17(19,20)13-5-6-15(25-10-22-9-23-25)14(7-13)24-16(26)12-3-1-11(8-21)2-4-12/h1-7,9-10H,(H,24,26).
What are the key properties of 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide?
4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 357.30 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4827986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).