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

C15H9ClF3N3O4 — CID 108512875

IUPACN'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClF3N3O4/c16-11-6-5-10(7-12(11)22(25)26)21-14(24)13(23)20-9-3-1-8(2-4-9)15(17,18)19/h1-7H,(H,20,23)(H,21,24)
InChIKeyYSYPIOXMXQRMQF-UHFFFAOYSA-N
MW387.70 g/mol
LogP3.84
Rot. Bonds3

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

N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108512875) has the molecular formula C15H9ClF3N3O4 and a molecular weight of 387.70 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108512875
Molecular FormulaC15H9ClF3N3O4
Molecular Weight387.70 g/mol
Exact Mass387.02
IUPAC NameN'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9ClF3N3O4/c16-11-6-5-10(7-12(11)22(25)26)21-14(24)13(23)20-9-3-1-8(2-4-9)15(17,18)19/h1-7H,(H,20,23)(H,21,24)
InChIKeyYSYPIOXMXQRMQF-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

4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
4-(4-chloro-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991515
N'-(3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108513404
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-chloro-3-nitrobenzoate
CID 7768132
N'-(4-chloro-3-nitrophenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511578
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
[2-(4-chloro-3-nitroanilino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 35661556
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108512875) is N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is YSYPIOXMXQRMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF3N3O4/c16-11-6-5-10(7-12(11)22(25)26)21-14(24)13(23)20-9-3-1-8(2-4-9)15(17,18)19/h1-7H,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]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-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108512875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).