N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide

C15H11ClF2N2O2 — CID 108511873

IUPACN'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8-2-3-9(16)6-12(8)19-14(21)15(22)20-13-7-10(17)4-5-11(13)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyWWKKCPKJAQZQNA-UHFFFAOYSA-N
MW324.71 g/mol
LogP3.50
Rot. Bonds2

About N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide (PubChem CID 108511873) has the molecular formula C15H11ClF2N2O2 and a molecular weight of 324.71 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
PubChem CID108511873
Molecular FormulaC15H11ClF2N2O2
Molecular Weight324.71 g/mol
Exact Mass324.05
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
SMILESCc1ccc(Cl)cc1NC(=O)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H11ClF2N2O2/c1-8-2-3-9(16)6-12(8)19-14(21)15(22)20-13-7-10(17)4-5-11(13)18/h2-7H,1H3,(H,19,21)(H,20,22)
InChIKeyWWKKCPKJAQZQNA-UHFFFAOYSA-N
XLogP3.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.71
LogP ≤ 53.50
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

2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
N'-(5-chloro-2-methylphenyl)-N-(3-fluorophenyl)oxamide
CID 108511843
N-(2,5-difluorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532429
2,4-dichloro-N-(5-fluoro-2-methylphenyl)benzamide
CID 804177
N'-tert-butyl-N-(2,5-difluorophenyl)oxamide
CID 44998522
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N'-(2,5-difluorophenyl)-N-(3,5-dimethylphenyl)oxamide
CID 44998495
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
2-bromo-N-(5-chloro-2-methylphenyl)-4-fluorobenzamide
CID 9192644
2-(5-chloro-2-fluoroanilino)-2-oxoacetic acid
CID 43444985
1-(4-chloro-2-methylphenyl)-3-(5-fluoro-2-methylphenyl)thiourea
CID 46924150

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide (CID 108511873) is N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide is Cc1ccc(Cl)cc1NC(=O)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide?
The InChIKey is WWKKCPKJAQZQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2N2O2/c1-8-2-3-9(16)6-12(8)19-14(21)15(22)20-13-7-10(17)4-5-11(13)18/h2-7H,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide has a molecular weight of 324.71 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide is sourced from PubChem (CID 108511873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).