N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

C15H10ClF3N2O2 — CID 108524160

IUPACN-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O2/c1-7-6-8(16)2-4-10(7)20-14(22)15(23)21-11-5-3-9(17)12(18)13(11)19/h2-6H,1H3,(H,20,22)(H,21,23)
InChIKeySHBQYAWCSSQOKE-UHFFFAOYSA-N
MW342.70 g/mol
LogP3.64
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108524160) has the molecular formula C15H10ClF3N2O2 and a molecular weight of 342.70 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108524160
Molecular FormulaC15H10ClF3N2O2
Molecular Weight342.70 g/mol
Exact Mass342.04
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O2/c1-7-6-8(16)2-4-10(7)20-14(22)15(23)21-11-5-3-9(17)12(18)13(11)19/h2-6H,1H3,(H,20,22)(H,21,23)
InChIKeySHBQYAWCSSQOKE-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.70
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108516579
1-(5-chloro-2-methylphenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892469
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
CID 3593007
methyl 4-chloro-3-[[2-(4-chloro-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987118
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N'-(4-chloro-2-methylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515804
N-(4-chloro-2-methylphenyl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)oxamide
CID 108524105
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
1-(2,5-dichlorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108886224

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 108524160) is N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is SHBQYAWCSSQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O2/c1-7-6-8(16)2-4-10(7)20-14(22)15(23)21-11-5-3-9(17)12(18)13(11)19/h2-6H,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 342.70 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108524160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).