[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate

C15H13ClN2O2 — CID 5372333

IUPAC[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C(/N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-10-2-4-12(5-3-10)15(19)20-18-14(17)11-6-8-13(16)9-7-11/h2-9H,1H3,(H2,17,18)
InChIKeyWYTGQWDDENNUAR-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.13
Rot. Bonds3

About [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate

[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate (PubChem CID 5372333) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate.

Molecular Properties

Compound Name[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
PubChem CID5372333
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate
SMILESCc1ccc(C(=O)O/N=C(/N)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClN2O2/c1-10-2-4-12(5-3-10)15(19)20-18-14(17)11-6-8-13(16)9-7-11/h2-9H,1H3,(H2,17,18)
InChIKeyWYTGQWDDENNUAR-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'}

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Related Compounds

[[amino-(4-bromophenyl)methylidene]amino] 4-chlorobenzoate
CID 2869302
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 4-methylbenzoate
CID 5344837
[[amino-(4-chlorophenyl)methylidene]amino] 4-iodobenzoate
CID 2890265
[(Z)-[amino-(4-fluorophenyl)methylidene]amino] 4-chlorobenzoate
CID 19292058
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
[[amino-(4-methylphenyl)methylidene]amino] 2-(4-chlorophenoxy)acetate
CID 5000485
[(E)-[amino-(4-methylphenyl)methylidene]amino] acetate
CID 11401281
[[amino-(4-chlorophenyl)methylidene]amino] naphthalene-2-carboxylate
CID 2903183
[[amino-[4-(N'-benzoyloxycarbamimidoyl)phenyl]methylidene]amino] benzoate
CID 58767880
[(E)-(4-methylphenyl)methylideneamino] 4-chlorobenzoate
CID 6894030
[[amino-[4-[(3,5-dichloro-4-pyridinyl)oxy]phenyl]methylidene]amino] 4-chlorobenzoate
CID 2746727
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate?
The IUPAC name of [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate (CID 5372333) is [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate.
What is the SMILES notation for [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate?
The canonical SMILES for [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate is Cc1ccc(C(=O)O/N=C(/N)c2ccc(Cl)cc2)cc1.
What is the InChIKey of [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate?
The InChIKey is WYTGQWDDENNUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c1-10-2-4-12(5-3-10)15(19)20-18-14(17)11-6-8-13(16)9-7-11/h2-9H,1H3,(H2,17,18).
What are the key properties of [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate?
[(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-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 [(E)-[amino-(4-chlorophenyl)methylidene]amino] 4-methylbenzoate is sourced from PubChem (CID 5372333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).