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

C15H12ClFN2O3 — CID 44998409

IUPACN'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O3/c1-22-11-5-2-9(3-6-11)18-14(20)15(21)19-10-4-7-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyOMJUNNZVCDXKPT-UHFFFAOYSA-N
MW322.72 g/mol
LogP3.06
Rot. Bonds3

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

N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide (PubChem CID 44998409) has the molecular formula C15H12ClFN2O3 and a molecular weight of 322.72 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
PubChem CID44998409
Molecular FormulaC15H12ClFN2O3
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC NameN'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C15H12ClFN2O3/c1-22-11-5-2-9(3-6-11)18-14(20)15(21)19-10-4-7-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21)
InChIKeyOMJUNNZVCDXKPT-UHFFFAOYSA-N
XLogP3.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.72
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 5016619
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N-(3-chloro-4-fluorophenyl)-2,4-dimethoxybenzamide
CID 4674672
1-(3-chloro-4-fluorophenyl)-3-[(E)-2-(4-methoxyphenyl)ethenyl]urea
CID 108907784
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 44998421
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593
methyl 2-[[2-(3-chloro-4-fluoroanilino)-2-oxoacetyl]amino]benzoate
CID 108512480
N-(3-chloro-4-fluorophenyl)-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109337357
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109358556

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide (CID 44998409) is N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
The InChIKey is OMJUNNZVCDXKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O3/c1-22-11-5-2-9(3-6-11)18-14(20)15(21)19-10-4-7-13(17)12(16)8-10/h2-8H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide?
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide has a molecular weight of 322.72 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 44998409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).