N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide

C21H17ClN2O4 — CID 108987184

IUPACN'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17ClN2O4/c1-27-18-12-11-14(22)13-17(18)24-21(26)20(25)23-16-9-5-6-10-19(16)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyIUXATLDLIJBHAQ-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.72
Rot. Bonds5

About N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide

N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide (PubChem CID 108987184) has the molecular formula C21H17ClN2O4 and a molecular weight of 396.83 g/mol. Its IUPAC name is N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
PubChem CID108987184
Molecular FormulaC21H17ClN2O4
Molecular Weight396.83 g/mol
Exact Mass396.09
IUPAC NameN'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C21H17ClN2O4/c1-27-18-12-11-14(22)13-17(18)24-21(26)20(25)23-16-9-5-6-10-19(16)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyIUXATLDLIJBHAQ-UHFFFAOYSA-N
XLogP4.72
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.72
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-(5-chloro-2-phenoxyphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789597
N-(3-methoxyphenyl)-N'-(2-phenoxyphenyl)oxamide
CID 108987248
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-methoxyphenyl)-N'-(1-phenylethyl)oxamide
CID 2986502
N-(5-chloro-2-methoxyphenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 7378760
N'-[[4-(5-chloro-2-methoxyanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyphenyl)oxamide
CID 3302269
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N'-(5-chloro-2-methoxyphenyl)-N-(2,4-difluorophenyl)oxamide
CID 108502324
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide (CID 108987184) is N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide is COc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide?
The InChIKey is IUXATLDLIJBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4/c1-27-18-12-11-14(22)13-17(18)24-21(26)20(25)23-16-9-5-6-10-19(16)28-15-7-3-2-4-8-15/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide?
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide has a molecular weight of 396.83 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide is sourced from PubChem (CID 108987184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).