(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide

C16H14Cl2N4O2 — CID 13078236

IUPAC(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide
SMILESCNC(=O)/C(N)=N/Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-20-16(24)15(19)22-21-13-7-6-9(17)8-11(13)14(23)10-4-2-3-5-12(10)18/h2-8,21H,1H3,(H2,19,22)(H,20,24)
InChIKeyRKGLMRVMRVMNRV-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.65
Rot. Bonds4

About (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide

(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide (PubChem CID 13078236) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide
PubChem CID13078236
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide
SMILESCNC(=O)/C(N)=N/Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C16H14Cl2N4O2/c1-20-16(24)15(19)22-21-13-7-6-9(17)8-11(13)14(23)10-4-2-3-5-12(10)18/h2-8,21H,1H3,(H2,19,22)(H,20,24)
InChIKeyRKGLMRVMRVMNRV-UHFFFAOYSA-N
XLogP2.65
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-amino-2-[[4-chloro-2-(2-fluorobenzoyl)phenyl]hydrazinylidene]acetate
CID 13078230
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)anilino]-2-oxoethyl]acetamide
CID 21153465
(2-chlorophenyl)-(5-chloro-2-sulfanylphenyl)methanone
CID 139700416
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
[5-chloro-2-(prop-2-ynylamino)phenyl]-phenylmethanone
CID 528283
2-(2-chlorophenyl)-N-methyl-2-oxoacetamide
CID 140990273
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
(2-chlorophenyl)-[5-methoxy-2-(methylamino)phenyl]methanone
CID 134907446
(5-chloro-2-isocyanatophenyl)-(2-chlorophenyl)methanone
CID 169352086

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide?
The IUPAC name of (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide (CID 13078236) is (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide.
What is the SMILES notation for (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide?
The canonical SMILES for (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide is CNC(=O)/C(N)=N/Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide?
The InChIKey is RKGLMRVMRVMNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-20-16(24)15(19)22-21-13-7-6-9(17)8-11(13)14(23)10-4-2-3-5-12(10)18/h2-8,21H,1H3,(H2,19,22)(H,20,24).
What are the key properties of (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide?
(2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide has a molecular weight of 365.22 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-amino-2-[[4-chloro-2-(2-chlorobenzoyl)phenyl]hydrazinylidene]-N-methylacetamide is sourced from PubChem (CID 13078236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).