N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide

C12H14Cl2N2O2 — CID 6510254

IUPACN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide
SMILESC/C(=N/NC(=O)C(C)(C)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(15-16-11(17)12(2,3)18)9-6-8(13)4-5-10(9)14/h4-6,18H,1-3H3,(H,16,17)/b15-7-
InChIKeyRFSSMEGUDKSKEG-CHHVJCJISA-N
MW289.16 g/mol
LogP2.60
Rot. Bonds3

About N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide

N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide (PubChem CID 6510254) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide
PubChem CID6510254
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC NameN-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide
SMILESC/C(=N/NC(=O)C(C)(C)O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O2/c1-7(15-16-11(17)12(2,3)18)9-6-8(13)4-5-10(9)14/h4-6,18H,1-3H3,(H,16,17)/b15-7-
InChIKeyRFSSMEGUDKSKEG-CHHVJCJISA-N
XLogP2.60
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Lactic acid, 2-methyl-, (2,6-dichlorobenzylidene)hydrazide
CID 9554213
Acetic acid, hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 5487238
Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)-2-hydroxyethylidene)hydrazide, (E)-
CID 6510188
Lactic acid, 2-methyl-, (2,4-dichloro-alpha-methylbenzylidene)hydrazide
CID 6510253
Propanoic acid, 2-hydroxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589036
Propanoic acid, 2,2-dimethyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589047
Acetic acid, aminooxo-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589050
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
Acetic acid, methoxy-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589057
Propanoic acid, 2-methyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589066
Propanoic acid, 2-hydroxy-2-methyl-, (1-(2-chlorophenyl)ethylidene)hydrazide, (E)-
CID 9589157

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide (CID 6510254) is N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide is C/C(=N/NC(=O)C(C)(C)O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide?
The InChIKey is RFSSMEGUDKSKEG-CHHVJCJISA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c1-7(15-16-11(17)12(2,3)18)9-6-8(13)4-5-10(9)14/h4-6,18H,1-3H3,(H,16,17)/b15-7-.
What are the key properties of N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide?
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide has a molecular weight of 289.16 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 6510254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).