N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide

C15H12ClFN2O2 — CID 44998410

IUPACN'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9-2-4-10(5-3-9)18-14(20)15(21)19-11-6-7-13(17)12(16)8-11/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyLSJYJTGQFLQUDR-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.36
Rot. Bonds2

About N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide

N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide (PubChem CID 44998410) has the molecular formula C15H12ClFN2O2 and a molecular weight of 306.72 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
PubChem CID44998410
Molecular FormulaC15H12ClFN2O2
Molecular Weight306.72 g/mol
Exact Mass306.06
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O2/c1-9-2-4-10(5-3-9)18-14(20)15(21)19-11-6-7-13(17)12(16)8-11/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyLSJYJTGQFLQUDR-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.36
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)-N'-(5-methyl-2-pyridinyl)oxamide
CID 108530574
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
1-N'-(3-chloro-4-fluorophenyl)-1-N-(4-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980871
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
(Z)-3-(3-chloro-4-fluoroanilino)-2-cyano-N-(4-methylphenyl)prop-2-enamide
CID 108817414
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47245192
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
4-N-(3-chloro-4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091357

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide (CID 44998410) is N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide?
The InChIKey is LSJYJTGQFLQUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2/c1-9-2-4-10(5-3-9)18-14(20)15(21)19-11-6-7-13(17)12(16)8-11/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide has a molecular weight of 306.72 g/mol, XLogP of 3.36, 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-methylphenyl)oxamide is sourced from PubChem (CID 44998410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).