N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide

C16H14Cl2N2O3 — CID 108501079

IUPACN'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-5-3-2-4-10(14)9-19-15(21)16(22)20-13-8-11(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyBKYVMWQRIUQJKP-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.26
Rot. Bonds4

About N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide

N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 108501079) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID108501079
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC NameN'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O3/c1-23-14-5-3-2-4-10(14)9-19-15(21)16(22)20-13-8-11(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyBKYVMWQRIUQJKP-UHFFFAOYSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.26
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

1-N-(2,5-dichlorophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136510
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N-(5-chloro-2-methoxyphenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962957
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
methyl 4-chloro-3-[[3-[(2-methoxyphenyl)methylamino]-3-oxopropanoyl]amino]benzoate
CID 108946951
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9222379
5-chloro-2-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 26586354
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 8524267
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide (CID 108501079) is N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is BKYVMWQRIUQJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-23-14-5-3-2-4-10(14)9-19-15(21)16(22)20-13-8-11(17)6-7-12(13)18/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 353.21 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108501079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).