N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide

C11H13ClN2O4 — CID 108504969

IUPACN'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C11H13ClN2O4/c1-18-5-4-13-10(16)11(17)14-8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyPNIOQHRZQANPDR-UHFFFAOYSA-N
MW272.69 g/mol
LogP0.75
Rot. Bonds4

About N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide

N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 108504969) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
PubChem CID108504969
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC NameN'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1cc(Cl)ccc1O
InChIInChI=1S/C11H13ClN2O4/c1-18-5-4-13-10(16)11(17)14-8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyPNIOQHRZQANPDR-UHFFFAOYSA-N
XLogP0.75
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxyethyl)thiourea
CID 124749200
N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
N'-(5-chloro-2-hydroxyphenyl)-N-(4-chlorophenyl)oxamide
CID 108516598
N'-(5-chloro-2-hydroxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 108519764
N'-[(Z)-[4-(5-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]-N-(2-methoxyethyl)oxamide
CID 6183371
N'-(5-fluoro-2-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 47148013
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
N'-(4-chloro-2-methylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108524113
N'-(5-chloro-2-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502150

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide (CID 108504969) is N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1cc(Cl)ccc1O.
What is the InChIKey of N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is PNIOQHRZQANPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-18-5-4-13-10(16)11(17)14-8-6-7(12)2-3-9(8)15/h2-3,6,15H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide?
N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 272.69 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-hydroxyphenyl)-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 108504969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).