[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate

C15H13ClN2O2 — CID 5344886

IUPAC[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate
SMILESCc1cccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-3-2-4-12(9-10)15(19)20-18-14(17)11-5-7-13(16)8-6-11/h2-9H,1H3,(H2,17,18)
InChIKeyLVHQITDWUSSDSJ-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.13
Rot. Bonds3

About [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate

[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate (PubChem CID 5344886) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate
PubChem CID5344886
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate
SMILESCc1cccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H13ClN2O2/c1-10-3-2-4-12(9-10)15(19)20-18-14(17)11-5-7-13(16)8-6-11/h2-9H,1H3,(H2,17,18)
InChIKeyLVHQITDWUSSDSJ-UHFFFAOYSA-N
XLogP3.13
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(4-fluorobenzoyl)oxy]benzenecarboximidamide
CID 5338744
N'-[(2-methylbenzoyl)oxy]benzenecarboximidamide
CID 5338754
N'-[(3-fluorobenzoyl)oxy]benzenecarboximidamide
CID 5338763
N'-[(4-fluorobenzoyl)oxy]-4-methylbenzenecarboximidamide
CID 5344902
N'-[(2,4-dichlorobenzoyl)oxy]-3-methylbenzenecarboximidamide
CID 5349217
N'-[(4-fluorobenzoyl)oxy]-3-methylbenzenecarboximidamide
CID 9587369
N'-[(3-fluorobenzoyl)oxy]-4-methylbenzenecarboximidamide
CID 5344874
N'-[(2-chloro-4-methylbenzoyl)oxy]-3-methylbenzenecarboximidamide
CID 9586795
4-chloro-N'-[(4-chlorobenzoyl)oxy]benzenecarboximidamide
CID 9567277
N'-[(2-chlorobenzoyl)oxy]benzenecarboximidamide
CID 5332683
(1Z)-2-(4-chlorophenyl)-N'-[(naphthalen-1-ylcarbonyl)oxy]ethanimidamide
CID 9551837
4-chloro-N'-[(2-fluorobenzoyl)oxy]benzenecarboximidamide
CID 5344799

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate?
The IUPAC name of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate (CID 5344886) is [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate.
What is the SMILES notation for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate?
The canonical SMILES for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate is Cc1cccc(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1.
What is the InChIKey of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate?
The InChIKey is LVHQITDWUSSDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-3-2-4-12(9-10)15(19)20-18-14(17)11-5-7-13(16)8-6-11/h2-9H,1H3,(H2,17,18).
What are the key properties of [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate?
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate has a molecular weight of 288.73 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 3-methylbenzoate is sourced from PubChem (CID 5344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).