N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

C15H9F2N5O3 — CID 24687410

IUPACN-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9F2N5O3/c16-10-2-3-11(17)12(6-10)20-15(23)9-1-4-13(14(5-9)22(24)25)21-8-18-7-19-21/h1-8H,(H,20,23)
InChIKeyDWANCEQJOXPTIW-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.71
Rot. Bonds4

About N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 24687410) has the molecular formula C15H9F2N5O3 and a molecular weight of 345.27 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID24687410
Molecular FormulaC15H9F2N5O3
Molecular Weight345.27 g/mol
Exact Mass345.07
IUPAC NameN-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9F2N5O3/c16-10-2-3-11(17)12(6-10)20-15(23)9-1-4-13(14(5-9)22(24)25)21-8-18-7-19-21/h1-8H,(H,20,23)
InChIKeyDWANCEQJOXPTIW-UHFFFAOYSA-N
XLogP2.71
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Nitro-4-(1,2,4-triazol-4-yl)phenyl]-phenylmethanone
CID 2517571
N-(4-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 1473795
4-chloro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2330456
4-phenyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 2334526
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
N-(3-chlorophenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzenecarboxamide
CID 3818974
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24687403
[4-(3-Chlorophenyl)piperazin-1-yl]-[3-nitro-4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 24816819
N-(4-acetylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24818094
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24818119
N-[2-(2-ethylanilino)-2-oxoethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979122
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 24979155

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide (CID 24687410) is N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is O=C(Nc1cc(F)ccc1F)c1ccc(-n2cncn2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DWANCEQJOXPTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O3/c16-10-2-3-11(17)12(6-10)20-15(23)9-1-4-13(14(5-9)22(24)25)21-8-18-7-19-21/h1-8H,(H,20,23).
What are the key properties of N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide?
N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 345.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 24687410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).