N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide

C16H15ClN2O5 — CID 108514378

IUPACN'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccccc2O)c(OC)cc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-23-13-8-11(14(24-2)7-9(13)17)19-16(22)15(21)18-10-5-3-4-6-12(10)20/h3-8,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyBXTMHXNEWFYQDF-UHFFFAOYSA-N
MW350.76 g/mol
LogP2.64
Rot. Bonds4

About N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide (PubChem CID 108514378) has the molecular formula C16H15ClN2O5 and a molecular weight of 350.76 g/mol. Its IUPAC name is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
PubChem CID108514378
Molecular FormulaC16H15ClN2O5
Molecular Weight350.76 g/mol
Exact Mass350.07
IUPAC NameN'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide
SMILESCOc1cc(NC(=O)C(=O)Nc2ccccc2O)c(OC)cc1Cl
InChIInChI=1S/C16H15ClN2O5/c1-23-13-8-11(14(24-2)7-9(13)17)19-16(22)15(21)18-10-5-3-4-6-12(10)20/h3-8,20H,1-2H3,(H,18,21)(H,19,22)
InChIKeyBXTMHXNEWFYQDF-UHFFFAOYSA-N
XLogP2.64
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.76
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-2,5-dimethoxyphenyl)-N-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509414
N-(2-tert-butylphenyl)-N'-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108530208
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502302
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 108511701
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
N'-tert-butyl-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108506924
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(2,5-difluorophenyl)oxamide
CID 108532288
(Z)-2-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 1191949
N'-(2-amino-5-methylphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108532284
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2259133
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide?
The IUPAC name of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide (CID 108514378) is N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide?
The canonical SMILES for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide is COc1cc(NC(=O)C(=O)Nc2ccccc2O)c(OC)cc1Cl.
What is the InChIKey of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide?
The InChIKey is BXTMHXNEWFYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O5/c1-23-13-8-11(14(24-2)7-9(13)17)19-16(22)15(21)18-10-5-3-4-6-12(10)20/h3-8,20H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide?
N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide has a molecular weight of 350.76 g/mol, XLogP of 2.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2,5-dimethoxyphenyl)-N-(2-hydroxyphenyl)oxamide is sourced from PubChem (CID 108514378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).