N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide

C27H18F3N3O4 — CID 135254500

IUPACN'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1-c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C27H18F3N3O4/c28-27(29,30)19-11-13-23(21(15-19)17-7-3-1-4-8-17)31-25(34)26(35)32-24-14-12-20(33(36)37)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,31,34)(H,32,35)
InChIKeyCIHFHGXZRMPORL-UHFFFAOYSA-N
MW505.45 g/mol
LogP6.52
Rot. Bonds5

About N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide

N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide (PubChem CID 135254500) has the molecular formula C27H18F3N3O4 and a molecular weight of 505.45 g/mol. Its IUPAC name is N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide
PubChem CID135254500
Molecular FormulaC27H18F3N3O4
Molecular Weight505.45 g/mol
Exact Mass505.12
IUPAC NameN'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1-c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1-c1ccccc1
InChIInChI=1S/C27H18F3N3O4/c28-27(29,30)19-11-13-23(21(15-19)17-7-3-1-4-8-17)31-25(34)26(35)32-24-14-12-20(33(36)37)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,31,34)(H,32,35)
InChIKeyCIHFHGXZRMPORL-UHFFFAOYSA-N
XLogP6.52
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.45
LogP ≤ 56.52
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'}

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Related Compounds

2-oxo-N-[2-phenyl-4-(trifluoromethyl)phenyl]acetamide
CID 134547020
N-[4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]acetamide
CID 162534936
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
methyl 4-nitro-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134630374
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
4-nitro-1-[4-nitro-2-[4-(trifluoromethyl)phenyl]phenoxy]-2-[4-(trifluoromethyl)phenyl]benzene
CID 23344647
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1118911
(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 6197018
N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
CID 4710476
N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-(trifluoromethyl)benzamide
CID 155662759

Frequently Asked Questions

What is the IUPAC name of N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide (CID 135254500) is N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc([N+](=O)[O-])cc1-c1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1-c1ccccc1.
What is the InChIKey of N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is CIHFHGXZRMPORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O4/c28-27(29,30)19-11-13-23(21(15-19)17-7-3-1-4-8-17)31-25(34)26(35)32-24-14-12-20(33(36)37)16-22(24)18-9-5-2-6-10-18/h1-16H,(H,31,34)(H,32,35).
What are the key properties of N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide?
N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 505.45 g/mol, XLogP of 6.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitro-2-phenylphenyl)-N-[2-phenyl-4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 135254500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).