4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

C12H15ClN2O4 — CID 115577293

IUPAC4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15ClN2O4/c1-19-5-4-14-11(17)7-15-12(18)9-3-2-8(13)6-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyMLCWAGICXCFJAI-UHFFFAOYSA-N
MW286.71 g/mol
LogP0.54
Rot. Bonds6

About 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide

4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (PubChem CID 115577293) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.71 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
PubChem CID115577293
Molecular FormulaC12H15ClN2O4
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
SMILESCOCCNC(=O)CNC(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C12H15ClN2O4/c1-19-5-4-14-11(17)7-15-12(18)9-3-2-8(13)6-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)(H,15,18)
InChIKeyMLCWAGICXCFJAI-UHFFFAOYSA-N
XLogP0.54
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
2-fluoro-4-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 103941343
N-[2-(tert-butylamino)-2-oxoethyl]-4-chloro-2-hydroxybenzamide
CID 115279278
4-chloro-2-hydroxy-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 113343606
2-[(5-chloro-2-hydroxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 113229720
5-bromo-2-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 113219434
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-bromo-4-chloro-N-[3-(2-methoxyethylamino)-3-oxopropyl]benzamide
CID 103764472
2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
5-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methylbenzamide;hydrochloride
CID 120618901
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide (CID 115577293) is 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is COCCNC(=O)CNC(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
The InChIKey is MLCWAGICXCFJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-19-5-4-14-11(17)7-15-12(18)9-3-2-8(13)6-10(9)16/h2-3,6,16H,4-5,7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide?
4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide has a molecular weight of 286.71 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 115577293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).