N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide

C15H10F3N3O4 — CID 110317083

IUPACN-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)c(F)c2F)c1
InChIInChI=1S/C15H10F3N3O4/c1-7(22)19-8-3-2-4-9(5-8)20-15(23)10-6-11(21(24)25)13(17)14(18)12(10)16/h2-6H,1H3,(H,19,22)(H,20,23)
InChIKeyGBQULOANKUFRDG-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.22
Rot. Bonds4

About N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide

N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide (PubChem CID 110317083) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
PubChem CID110317083
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC NameN-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)c(F)c2F)c1
InChIInChI=1S/C15H10F3N3O4/c1-7(22)19-8-3-2-4-9(5-8)20-15(23)10-6-11(21(24)25)13(17)14(18)12(10)16/h2-6H,1H3,(H,19,22)(H,20,23)
InChIKeyGBQULOANKUFRDG-UHFFFAOYSA-N
XLogP3.22
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide 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

methyl 2-chloro-5-[(2,3,4-trifluoro-5-nitrobenzoyl)amino]benzoate
CID 110313358
N-(3-bromophenyl)-2,5-difluoro-3-nitrobenzamide
CID 107121691
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2,3,4-trifluoro-N-(2-methoxyphenyl)-5-nitrobenzamide
CID 110317070
2,3,4-trifluoro-5-nitro-N-(2,3,4-trifluorophenyl)benzamide
CID 110317109
2,3,4-trifluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-nitrobenzamide
CID 110317093
N-(3-acetamidophenyl)-2-iodo-5-nitrobenzamide
CID 38887087
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
2,3-difluoro-N-(3-methyl-4-nitrophenyl)benzamide
CID 62660947
2,5-difluoro-N-(3-fluorophenyl)-4-nitrobenzamide
CID 115736115
5-acetamido-2-fluoro-N-(2-methyl-3-nitrophenyl)benzamide
CID 60567199

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide?
The IUPAC name of N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide (CID 110317083) is N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide?
The canonical SMILES for N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide is CC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])c(F)c(F)c2F)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide?
The InChIKey is GBQULOANKUFRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4/c1-7(22)19-8-3-2-4-9(5-8)20-15(23)10-6-11(21(24)25)13(17)14(18)12(10)16/h2-6H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide?
N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide has a molecular weight of 353.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2,3,4-trifluoro-5-nitrobenzamide is sourced from PubChem (CID 110317083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).