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

C14H11ClN2O2 — CID 5332683

IUPAC[(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)14(18)19-17-13(16)10-6-2-1-3-7-10/h1-9H,(H2,16,17)
InChIKeyATXRRRCIHZTEEH-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.82
Rot. Bonds3

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

[(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate (PubChem CID 5332683) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate
PubChem CID5332683
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name[(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate
SMILESN/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)14(18)19-17-13(16)10-6-2-1-3-7-10/h1-9H,(H2,16,17)
InChIKeyATXRRRCIHZTEEH-UHFFFAOYSA-N
XLogP2.82
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.82
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'}

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Related Compounds

CID 5332695
CID 5332695
CID 5338744
CID 5338744
CID 5338754
CID 5338754
CID 5338763
CID 5338763
CID 5344902
CID 5344902
CID 5349217
CID 5349217
CID 9587500
CID 9587500
CID 5344874
CID 5344874
CID 9586795
CID 9586795
CID 5344886
CID 5344886
CID 9586793
CID 9586793
CID 9567277
CID 9567277

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate?
The IUPAC name of [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate (CID 5332683) is [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate.
What is the SMILES notation for [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate?
The canonical SMILES for [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate is N/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1.
What is the InChIKey of [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate?
The InChIKey is ATXRRRCIHZTEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c15-12-9-5-4-8-11(12)14(18)19-17-13(16)10-6-2-1-3-7-10/h1-9H,(H2,16,17).
What are the key properties of [(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate?
[(Z)-[amino(phenyl)methylidene]amino] 2-chlorobenzoate has a molecular weight of 274.71 g/mol, XLogP of 2.82, 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-chlorobenzoate is sourced from PubChem (CID 5332683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).