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

C15H9ClF3N3O4 — CID 108513261

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O4/c16-12-5-4-9(7-11(12)15(17,18)19)21-14(24)13(23)20-8-2-1-3-10(6-8)22(25)26/h1-7H,(H,20,23)(H,21,24)
InChIKeyIEUAMDSXCNQCLM-UHFFFAOYSA-N
MW387.70 g/mol
LogP3.84
Rot. Bonds3

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

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide (PubChem CID 108513261) has the molecular formula C15H9ClF3N3O4 and a molecular weight of 387.70 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide
PubChem CID108513261
Molecular FormulaC15H9ClF3N3O4
Molecular Weight387.70 g/mol
Exact Mass387.02
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide
SMILESO=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF3N3O4/c16-12-5-4-9(7-11(12)15(17,18)19)21-14(24)13(23)20-8-2-1-3-10(6-8)22(25)26/h1-7H,(H,20,23)(H,21,24)
InChIKeyIEUAMDSXCNQCLM-UHFFFAOYSA-N
XLogP3.84
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.70
LogP ≤ 53.84
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

N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-6-nitrobenzoic acid
CID 51035704
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-(2-nitrophenyl)methylideneamino]oxamide
CID 6249380
N'-(3-nitrophenyl)-N-(4-propan-2-ylphenyl)oxamide
CID 45001038
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108515782
2-[4-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 27246868
N-(4-acetylphenyl)-N'-(3-nitrophenyl)oxamide
CID 108513258
1-(3,4-dichlorophenyl)-3-(3-nitrophenyl)thiourea
CID 2200080
2-[4-chloro-N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-(3-nitrophenyl)acetamide
CID 126034281
N'-benzhydryl-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108507995
1-(3-nitrophenyl)-3-(trifluoromethyl)urea
CID 108865882

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide (CID 108513261) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide is O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide?
The InChIKey is IEUAMDSXCNQCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O4/c16-12-5-4-9(7-11(12)15(17,18)19)21-14(24)13(23)20-8-2-1-3-10(6-8)22(25)26/h1-7H,(H,20,23)(H,21,24).
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide has a molecular weight of 387.70 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).