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

C17H14FN5O2 — CID 56787182

IUPAC3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)ccc1F
InChIInChI=1S/C17H14FN5O2/c1-10(24)21-15-8-12(4-7-14(15)18)17(25)22-13-5-2-11(3-6-13)16-19-9-20-23-16/h2-9H,1H3,(H,21,24)(H,22,25)(H,19,20,23)
InChIKeyBTECBRNSLOVUBP-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.82
Rot. Bonds4

About 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide

3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (PubChem CID 56787182) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
PubChem CID56787182
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)ccc1F
InChIInChI=1S/C17H14FN5O2/c1-10(24)21-15-8-12(4-7-14(15)18)17(25)22-13-5-2-11(3-6-13)16-19-9-20-23-16/h2-9H,1H3,(H,21,24)(H,22,25)(H,19,20,23)
InChIKeyBTECBRNSLOVUBP-UHFFFAOYSA-N
XLogP2.82
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]cyclopropanecarboxamide
CID 166218163
N-(3-acetamido-4-fluorophenyl)-6-chloropyridine-3-carboxamide
CID 60723641
3-acetamido-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47366046
N-(3-acetamido-4-fluorophenyl)-1,3-dioxoisoindole-5-carboxamide
CID 99804576
5-ethyl-N-[2-fluoro-5-(1H-1,2,4-triazol-5-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 167843693
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
3-acetamido-N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-4-fluorobenzamide
CID 60567516
methyl 4-[(E)-3-oxo-3-[4-(1H-1,2,4-triazol-5-yl)anilino]prop-1-enyl]benzoate
CID 75534687

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide (CID 56787182) is 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is CC(=O)Nc1cc(C(=O)Nc2ccc(-c3ncn[nH]3)cc2)ccc1F.
What is the InChIKey of 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
The InChIKey is BTECBRNSLOVUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-10(24)21-15-8-12(4-7-14(15)18)17(25)22-13-5-2-11(3-6-13)16-19-9-20-23-16/h2-9H,1H3,(H,21,24)(H,22,25)(H,19,20,23).
What are the key properties of 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide?
3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide has a molecular weight of 339.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-4-fluoro-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 56787182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).