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

C16H10ClF3N4O — CID 17393558

IUPACN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O/c17-10-5-6-14(24-9-21-8-22-24)13(7-10)23-15(25)11-3-1-2-4-12(11)16(18,19)20/h1-9H,(H,23,25)
InChIKeyZQSGUFOMJRCGSS-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.19
Rot. Bonds3

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

N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide (PubChem CID 17393558) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide
PubChem CID17393558
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC NameN-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O/c17-10-5-6-14(24-9-21-8-22-24)13(7-10)23-15(25)11-3-1-2-4-12(11)16(18,19)20/h1-9H,(H,23,25)
InChIKeyZQSGUFOMJRCGSS-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(1H-1,2,4-triazol-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8025189
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
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
N-(3-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 3818974
2-chloro-4-fluoro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24399068
N-(5-chloro-2-fluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24980967
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 24983026
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135715117
N-(4-chloro-2-fluorophenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 9267240
2-methyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 9504912
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-2-nitrobenzamide
CID 17427318

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide (CID 17393558) is N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide is O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
The InChIKey is ZQSGUFOMJRCGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-10-5-6-14(24-9-21-8-22-24)13(7-10)23-15(25)11-3-1-2-4-12(11)16(18,19)20/h1-9H,(H,23,25).
What are the key properties of N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide?
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide has a molecular weight of 366.73 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 17393558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).