N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide

C9H6ClFN4O — CID 47338086

IUPACN-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]n1
InChIInChI=1S/C9H6ClFN4O/c10-6-3-5(1-2-7(6)11)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15)
InChIKeyGXSIMYZKCPZXLP-UHFFFAOYSA-N
MW240.62 g/mol
LogP1.85
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide (PubChem CID 47338086) has the molecular formula C9H6ClFN4O and a molecular weight of 240.62 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
PubChem CID47338086
Molecular FormulaC9H6ClFN4O
Molecular Weight240.62 g/mol
Exact Mass240.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]n1
InChIInChI=1S/C9H6ClFN4O/c10-6-3-5(1-2-7(6)11)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15)
InChIKeyGXSIMYZKCPZXLP-UHFFFAOYSA-N
XLogP1.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
N-(4-acetamido-3-chlorophenyl)-2H-triazole-4-carboxamide
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N-(3-chloro-4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532923
N-(3,4-dimethylphenyl)-2H-triazole-4-carboxamide
CID 47334767
N-(3-chloro-4-fluorophenyl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411119
N-[4-(carbamoylamino)phenyl]-2H-triazole-4-carboxamide
CID 47338316
N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 110475487
N-(3-chloro-4-fluorophenyl)-1H-pyrrole-3-carboxamide
CID 110691150
N-(3-iodophenyl)-2H-triazole-4-carboxamide
CID 47338141
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide (CID 47338086) is N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cn[nH]n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide?
The InChIKey is GXSIMYZKCPZXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN4O/c10-6-3-5(1-2-7(6)11)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide has a molecular weight of 240.62 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47338086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).