N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide

C12H15ClN2O3 — CID 6510188

IUPACN-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)N/N=C(/CO)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-12(2,18)11(17)15-14-10(7-16)8-5-3-4-6-9(8)13/h3-6,16,18H,7H2,1-2H3,(H,15,17)/b14-10-
InChIKeyDWPDINCFFNHRHG-UVTDQMKNSA-N
MW270.72 g/mol
LogP0.92
Rot. Bonds4

About N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide

N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide (PubChem CID 6510188) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide
PubChem CID6510188
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide
SMILESCC(C)(O)C(=O)N/N=C(/CO)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-12(2,18)11(17)15-14-10(7-16)8-5-3-4-6-9(8)13/h3-6,16,18H,7H2,1-2H3,(H,15,17)/b14-10-
InChIKeyDWPDINCFFNHRHG-UVTDQMKNSA-N
XLogP0.92
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Acetic acid, hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 5487238
Lactic acid, 2-methyl-, (2,4-dichloro-alpha-methylbenzylidene)hydrazide
CID 6510253
Lactic acid, 2-methyl-, (2,5-dichloro-alpha-methylbenzylidene)hydrazide
CID 6510254
Propanoic acid, 2-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589036
Butanoic acid, 3-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589048
Propanoic acid, 2,2-dimethyl-3-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589052
Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)propylidene)hydrazide, (E)-
CID 9589054
Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)pentylidene)hydrazide, (E)-
CID 9589055
Hexanoic acid, 2-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589058
Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589157
MP 518
CID 5747801
5-[(2-Chlorophenyl) (hydroxy)methyl]-6-methyl pyridazin-3(2h)-one
CID 129833258

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide (CID 6510188) is N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide is CC(C)(O)C(=O)N/N=C(/CO)c1ccccc1Cl.
What is the InChIKey of N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide?
The InChIKey is DWPDINCFFNHRHG-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-12(2,18)11(17)15-14-10(7-16)8-5-3-4-6-9(8)13/h3-6,16,18H,7H2,1-2H3,(H,15,17)/b14-10-.
What are the key properties of N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide?
N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide has a molecular weight of 270.72 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-(2-chlorophenyl)-2-hydroxyethylidene]amino]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 6510188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).