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

C17H14ClN3O3 — CID 108501670

IUPACN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H14ClN3O3/c1-10-7-14(15(24-2)8-12(10)18)21-17(23)16(22)20-13-6-4-3-5-11(13)9-19/h3-8H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQKIRLDULXLFOGL-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.11
Rot. Bonds3

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

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide (PubChem CID 108501670) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
PubChem CID108501670
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H14ClN3O3/c1-10-7-14(15(24-2)8-12(10)18)21-17(23)16(22)20-13-6-4-3-5-11(13)9-19/h3-8H,1-2H3,(H,20,22)(H,21,23)
InChIKeyQKIRLDULXLFOGL-UHFFFAOYSA-N
XLogP3.11
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108956910
2-(4-chloro-2-methoxy-5-methylanilino)benzonitrile
CID 28550578
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
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-2,5-dimethoxyphenyl)-2-(2-cyanoanilino)acetamide
CID 109011243
(Z)-3-(4-chloro-2-methoxy-5-methylanilino)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 108821564
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
2-(4-chloro-2-methoxy-5-methylanilino)-3-methylbenzonitrile
CID 107106284

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide (CID 108501670) is N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide?
The InChIKey is QKIRLDULXLFOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-7-14(15(24-2)8-12(10)18)21-17(23)16(22)20-13-6-4-3-5-11(13)9-19/h3-8H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide?
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide has a molecular weight of 343.77 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-cyanophenyl)oxamide is sourced from PubChem (CID 108501670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).