N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide

C16H14ClFN2O3 — CID 108512659

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9-7-13(14(23-2)8-12(9)17)20-16(22)15(21)19-11-5-3-10(18)4-6-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJDPUCHMUYXVYEW-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.37
Rot. Bonds3

About N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide (PubChem CID 108512659) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
PubChem CID108512659
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O3/c1-9-7-13(14(23-2)8-12(9)17)20-16(22)15(21)19-11-5-3-10(18)4-6-11/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyJDPUCHMUYXVYEW-UHFFFAOYSA-N
XLogP3.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.37
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-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982429
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109244354
N-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide
CID 23095274
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532479
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-difluoroanilino)acetamide
CID 109011257

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide (CID 108512659) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide?
The InChIKey is JDPUCHMUYXVYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c1-9-7-13(14(23-2)8-12(9)17)20-16(22)15(21)19-11-5-3-10(18)4-6-11/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide has a molecular weight of 336.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 108512659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).