N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

C15H10F3N3O4 — CID 108513404

IUPACN'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)9-4-6-10(7-5-9)19-13(22)14(23)20-11-2-1-3-12(8-11)21(24)25/h1-8H,(H,19,22)(H,20,23)
InChIKeyRSWKRTYJHDUBPD-UHFFFAOYSA-N
MW353.26 g/mol
LogP3.19
Rot. Bonds3

About N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide

N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108513404) has the molecular formula C15H10F3N3O4 and a molecular weight of 353.26 g/mol. Its IUPAC name is N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108513404
Molecular FormulaC15H10F3N3O4
Molecular Weight353.26 g/mol
Exact Mass353.06
IUPAC NameN'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H10F3N3O4/c16-15(17,18)9-4-6-10(7-5-9)19-13(22)14(23)20-11-2-1-3-12(8-11)21(24)25/h1-8H,(H,19,22)(H,20,23)
InChIKeyRSWKRTYJHDUBPD-UHFFFAOYSA-N
XLogP3.19
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide 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-N-[4-(trifluoromethyl)phenyl]aniline
CID 142848101
3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 709324
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide
CID 108513261
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
3-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 767050
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006

Frequently Asked Questions

What is the IUPAC name of N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108513404) is N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is RSWKRTYJHDUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O4/c16-15(17,18)9-4-6-10(7-5-9)19-13(22)14(23)20-11-2-1-3-12(8-11)21(24)25/h1-8H,(H,19,22)(H,20,23).
What are the key properties of N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 353.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108513404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).