2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide

C16H13FN4O2 — CID 100614888

IUPAC2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cnnc2)c1)c1c(O)cccc1F
InChIInChI=1S/C16H13FN4O2/c17-13-5-2-6-14(22)15(13)16(23)20-12-4-1-3-11(7-12)8-21-9-18-19-10-21/h1-7,9-10,22H,8H2,(H,20,23)
InChIKeyINDSICVNZLTULQ-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.42
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide

2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide (PubChem CID 100614888) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide
PubChem CID100614888
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1cccc(Cn2cnnc2)c1)c1c(O)cccc1F
InChIInChI=1S/C16H13FN4O2/c17-13-5-2-6-14(22)15(13)16(23)20-12-4-1-3-11(7-12)8-21-9-18-19-10-21/h1-7,9-10,22H,8H2,(H,20,23)
InChIKeyINDSICVNZLTULQ-UHFFFAOYSA-N
XLogP2.42
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-6-hydroxy-N-[3-(methoxymethyl)phenyl]benzamide
CID 104916789
2,6-difluoro-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601976
N-(4-ethylphenyl)-2-fluoro-6-hydroxybenzamide
CID 104916647
2-fluoro-N-(5-fluoro-3-pyridinyl)-6-hydroxybenzamide
CID 114217702
4-oxo-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366447
2-bromo-N-(3-ethylphenyl)-6-fluorobenzamide
CID 113250708
N-[3-(bromomethyl)phenyl]-2-chloro-6-fluorobenzamide
CID 114307297
N-[3-(3-aminoprop-1-ynyl)phenyl]-2-fluoro-6-hydroxybenzamide
CID 107016186
2-fluoro-6-hydroxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 99619341
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940
2-cyclopropyl-4-methyl-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]pyrimidine-5-carboxamide
CID 155955800
2,4,6-trifluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 65100821

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide (CID 100614888) is 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide is O=C(Nc1cccc(Cn2cnnc2)c1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide?
The InChIKey is INDSICVNZLTULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-13-5-2-6-14(22)15(13)16(23)20-12-4-1-3-11(7-12)8-21-9-18-19-10-21/h1-7,9-10,22H,8H2,(H,20,23).
What are the key properties of 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide?
2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide has a molecular weight of 312.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 100614888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).