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

C15H9ClF4N2O2 — CID 108530569

IUPACN'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9ClF4N2O2/c16-11-7-10(5-6-12(11)17)22-14(24)13(23)21-9-3-1-8(2-4-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyOYGLGAYFZJSOMS-UHFFFAOYSA-N
MW360.69 g/mol
LogP4.08
Rot. Bonds2

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

N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 108530569) has the molecular formula C15H9ClF4N2O2 and a molecular weight of 360.69 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID108530569
Molecular FormulaC15H9ClF4N2O2
Molecular Weight360.69 g/mol
Exact Mass360.03
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H9ClF4N2O2/c16-11-7-10(5-6-12(11)17)22-14(24)13(23)21-9-3-1-8(2-4-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24)
InChIKeyOYGLGAYFZJSOMS-UHFFFAOYSA-N
XLogP4.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.69
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1055725
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(4-chlorophenyl)-N'-[2-chloro-5-(trifluoromethyl)phenyl]oxamide
CID 108987079
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
N'-(4-chloro-3-nitrophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108512875
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N'-(3-chloro-4-fluorophenyl)-N-(2-hydroxyethyl)oxamide
CID 7585032
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide (CID 108530569) is N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is OYGLGAYFZJSOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4N2O2/c16-11-7-10(5-6-12(11)17)22-14(24)13(23)21-9-3-1-8(2-4-9)15(18,19)20/h1-7H,(H,21,23)(H,22,24).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide?
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 360.69 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 108530569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).