[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate

C15H14N2O2 — CID 5338754

IUPAC[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11-7-5-6-10-13(11)15(18)19-17-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17)
InChIKeyRLLIUBHOTCUQQU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.47
Rot. Bonds3

About [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate

[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate (PubChem CID 5338754) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate
PubChem CID5338754
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate
SMILESCc1ccccc1C(=O)O/N=C(\N)c1ccccc1
InChIInChI=1S/C15H14N2O2/c1-11-7-5-6-10-13(11)15(18)19-17-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17)
InChIKeyRLLIUBHOTCUQQU-UHFFFAOYSA-N
XLogP2.47
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.47
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(phenyl)methylidene]amino] 2-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

CID 5338744
CID 5338744
CID 5344837
CID 5344837
CID 6243882
CID 6243882
CID 5338763
CID 5338763
CID 5344796
CID 5344796
CID 5344902
CID 5344902
CID 9587369
CID 9587369
CID 5344874
CID 5344874
CID 94873
CID 94873
CID 5344886
CID 5344886
CID 9586709
CID 9586709
CID 9586734
CID 9586734

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate (CID 5338754) is [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate is Cc1ccccc1C(=O)O/N=C(\N)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate?
The InChIKey is RLLIUBHOTCUQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-7-5-6-10-13(11)15(18)19-17-14(16)12-8-3-2-4-9-12/h2-10H,1H3,(H2,16,17).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate?
[(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate has a molecular weight of 254.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(phenyl)methylidene]amino] 2-methylbenzoate is sourced from PubChem (CID 5338754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).