5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide

C16H13FN4O2 — CID 134004356

IUPAC5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H13FN4O2/c1-23-15-7-6-11(17)8-12(15)16(22)20-13-4-2-3-5-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyXIJFIDSBLHHVIU-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.67
Rot. Bonds4

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

5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (PubChem CID 134004356) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
PubChem CID134004356
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)Nc1ccccc1-n1cncn1
InChIInChI=1S/C16H13FN4O2/c1-23-15-7-6-11(17)8-12(15)16(22)20-13-4-2-3-5-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22)
InChIKeyXIJFIDSBLHHVIU-UHFFFAOYSA-N
XLogP2.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-methoxy-N-(2-methylphenyl)benzamide
CID 31065487
N-[2-(difluoromethoxy)phenyl]-5-fluoro-2-methoxybenzamide
CID 31079743
1-(3-fluorophenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 47852920
5-bromo-2-chloro-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide
CID 55573291
2-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]quinoline-4-carboxamide
CID 134004270
5-fluoro-2-methoxy-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)benzamide
CID 167847189
5-hydroxy-N-[2-(1,2,4-triazol-1-yl)phenyl]pyridine-3-carboxamide
CID 63859919
N-(2-imidazol-1-ylphenyl)-2-methoxybenzamide
CID 12911562
4-bromo-1-methyl-N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrole-2-carboxamide
CID 60956274
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
5-fluoro-2-methoxy-N-pyridin-3-ylbenzamide
CID 34947016
5-(azepan-1-ylsulfonyl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxybenzamide
CID 55337182

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide (CID 134004356) is 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is COc1ccc(F)cc1C(=O)Nc1ccccc1-n1cncn1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
The InChIKey is XIJFIDSBLHHVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c1-23-15-7-6-11(17)8-12(15)16(22)20-13-4-2-3-5-14(13)21-10-18-9-19-21/h2-10H,1H3,(H,20,22).
What are the key properties of 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide?
5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(1,2,4-triazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 134004356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).