2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide

C16H13FN4O — CID 86782432

IUPAC2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nncn2-c2ccccc2)c1F
InChIInChI=1S/C16H13FN4O/c1-11-6-5-9-13(14(11)17)15(22)19-16-20-18-10-21(16)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20,22)
InChIKeyKYDXFMQXXYWRQJ-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.97
Rot. Bonds3

About 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide

2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 86782432) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
PubChem CID86782432
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nncn2-c2ccccc2)c1F
InChIInChI=1S/C16H13FN4O/c1-11-6-5-9-13(14(11)17)15(22)19-16-20-18-10-21(16)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20,22)
InChIKeyKYDXFMQXXYWRQJ-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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Related Compounds

2-fluoro-3-methyl-N-(1,2,4-triazin-3-yl)benzamide
CID 114387337
2-fluoro-3-methyl-N-[2-(2-phenyltriazol-4-yl)ethyl]benzamide
CID 146152227
1,3-dimethyl-5-(4-methylpyrazol-1-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 167946881
N-(4-phenyl-1,2,4-triazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 75445136
2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115696967
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(4-phenyl-1,2,4-triazol-3-yl)-4-(pyridin-4-ylmethoxy)benzamide
CID 167928589
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide (CID 86782432) is 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2nncn2-c2ccccc2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is KYDXFMQXXYWRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-11-6-5-9-13(14(11)17)15(22)19-16-20-18-10-21(16)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20,22).
What are the key properties of 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide?
2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-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 2-fluoro-3-methyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 86782432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).