1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one

C15H11Cl2N3O2 — CID 135539246

IUPAC1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
SMILESO=C(C(C=NO)=NNc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c16-10-6-7-12(13(17)8-10)15(21)14(9-18-22)20-19-11-4-2-1-3-5-11/h1-9,19,22H
InChIKeyXKJIJDOGNXFXLF-UHFFFAOYSA-N
MW336.18 g/mol
LogP4.10
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one

1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one (PubChem CID 135539246) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
PubChem CID135539246
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one
SMILESO=C(C(C=NO)=NNc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H11Cl2N3O2/c16-10-6-7-12(13(17)8-10)15(21)14(9-18-22)20-19-11-4-2-1-3-5-11/h1-9,19,22H
InChIKeyXKJIJDOGNXFXLF-UHFFFAOYSA-N
XLogP4.10
TPSA74.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,4-dichlorophenyl)ethylideneamino]aniline
CID 3541372
N-[3-hydroxyimino-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137198938
(2Z,3Z)-2,3-bis(phenylhydrazinylidene)-1-thiophen-2-ylpropan-1-one
CID 5370271
(2Z,3Z)-3-hydroxyimino-2-(phenylhydrazinylidene)propanal
CID 137266431
4-chloro-2-[4-[(phenylhydrazinylidene)methyl]phenyl]benzoic acid
CID 169382644
acetic acid;N-[1-(2,4-dichlorophenyl)ethylideneamino]pyridin-2-amine
CID 73243218
(NZ)-N-[1-(2,4-dichlorophenyl)-2,2-difluoroethylidene]hydroxylamine
CID 22769416
2,4-dichloro-N-[3-[(2,2-diphenylacetyl)amino]phenyl]benzamide
CID 3385314
2-chloro-1-(2,4-dichlorophenyl)-2-phenylethanone
CID 81236882
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-[(4-chlorophenyl)hydrazinylidene]-3-hydrazinylidene-1-thiophen-2-ylpropan-1-one
CID 3729407
(2Z)-2-[(3-chlorophenyl)hydrazinylidene]-1,2-diphenylethanone
CID 6172850

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one (CID 135539246) is 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one is O=C(C(C=NO)=NNc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one?
The InChIKey is XKJIJDOGNXFXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c16-10-6-7-12(13(17)8-10)15(21)14(9-18-22)20-19-11-4-2-1-3-5-11/h1-9,19,22H.
What are the key properties of 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one?
1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one has a molecular weight of 336.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-hydroxyimino-2-(phenylhydrazinylidene)propan-1-one is sourced from PubChem (CID 135539246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).