4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

C17H14N3O4- — CID 7034323

IUPAC4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c21-15(18-10-12-4-2-1-3-5-12)16(22)20-19-11-13-6-8-14(9-7-13)17(23)24/h1-9,11H,10H2,(H,18,21)(H,20,22)(H,23,24)/p-1/b19-11-
InChIKeyMXGRVUVXCYNADL-ODLFYWEKSA-M
MW324.32 g/mol
LogP-0.18
Rot. Bonds5

About 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate

4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (PubChem CID 7034323) has the molecular formula C17H14N3O4- and a molecular weight of 324.32 g/mol. Its IUPAC name is 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
PubChem CID7034323
Molecular FormulaC17H14N3O4-
Molecular Weight324.32 g/mol
Exact Mass324.10
IUPAC Name4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
SMILESO=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c21-15(18-10-12-4-2-1-3-5-12)16(22)20-19-11-13-6-8-14(9-7-13)17(23)24/h1-9,11H,10H2,(H,18,21)(H,20,22)(H,23,24)/p-1/b19-11-
InChIKeyMXGRVUVXCYNADL-ODLFYWEKSA-M
XLogP-0.18
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzylideneamino)-N-[(4-chlorophenyl)methyl]oxamide
CID 2244358
[4-[(E)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659564
N-benzyl-N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832350
4-[[[2-oxo-2-(pyridin-3-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 3387447
2-[2-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989556
N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
4-[[[2-oxo-2-(pyridin-2-ylmethylamino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 2850530
N-benzyl-N'-[[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 3488910
N-benzyl-N'-[(Z)-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126174356
N-benzyl-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832352
N-benzyl-N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]oxamide
CID 8931692
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-benzyloxamide
CID 8990324

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate (CID 7034323) is 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is O=C(NCc1ccccc1)C(=O)N/N=C\c1ccc(C(=O)[O-])cc1.
What is the InChIKey of 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is MXGRVUVXCYNADL-ODLFYWEKSA-M. The full InChI is InChI=1S/C17H15N3O4/c21-15(18-10-12-4-2-1-3-5-12)16(22)20-19-11-13-6-8-14(9-7-13)17(23)24/h1-9,11H,10H2,(H,18,21)(H,20,22)(H,23,24)/p-1/b19-11-.
What are the key properties of 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate?
4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 324.32 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(benzylamino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 7034323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).