N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide

C16H13FN4O — CID 16648866

IUPACN-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)13-8-6-12(7-9-13)16(22)19-15-5-3-2-4-14(15)17/h2-10H,1H3,(H,19,22)
InChIKeyQRZRRMNDLNUTJQ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide

N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide (PubChem CID 16648866) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
PubChem CID16648866
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC NameN-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide
SMILESCc1cnnn1-c1ccc(C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)13-8-6-12(7-9-13)16(22)19-15-5-3-2-4-14(15)17/h2-10H,1H3,(H,19,22)
InChIKeyQRZRRMNDLNUTJQ-UHFFFAOYSA-N
XLogP2.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide (CID 16648866) is N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide is Cc1cnnn1-c1ccc(C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
The InChIKey is QRZRRMNDLNUTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-10-18-20-21(11)13-8-6-12(7-9-13)16(22)19-15-5-3-2-4-14(15)17/h2-10H,1H3,(H,19,22).
What are the key properties of N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide?
N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide has a molecular weight of 296.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(5-methyltriazol-1-yl)benzamide is sourced from PubChem (CID 16648866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).