[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate

C15H13ClN2O2 — CID 133221313

IUPAC[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
SMILESN/C(Cc1ccccc1)=N\OC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(19)20-18-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18)
InChIKeyARHFBDJSCGLTMI-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.01
Rot. Bonds4

About [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate

[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate (PubChem CID 133221313) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate.

Molecular Properties

Compound Name[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
PubChem CID133221313
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
SMILESN/C(Cc1ccccc1)=N\OC(=O)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(19)20-18-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18)
InChIKeyARHFBDJSCGLTMI-UHFFFAOYSA-N
XLogP3.01
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.01
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

[(Z)-(1-amino-2-phenylethylidene)amino] 2-methylbenzoate
CID 133221307
[(Z)-(1-amino-2-phenylethylidene)amino] 3,6-dichloro-2-methoxybenzoate
CID 164870384
[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] furan-2-carboxylate
CID 2276392
[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium
CID 6340724
[(Z)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] benzoate
CID 5361930
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
CID 157104881
(2-amino-3-phenylpropanoyl) 2-chlorobenzoate
CID 150285747
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
[[1-amino-2-[2-(2-chlorophenyl)phenyl]ethylidene]amino] acetate
CID 123627985
N'-hydroxy-2-phenylethanimidamide
CID 6074309

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate?
The IUPAC name of [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate (CID 133221313) is [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate.
What is the SMILES notation for [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate?
The canonical SMILES for [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate is N/C(Cc1ccccc1)=N\OC(=O)c1ccccc1Cl.
What is the InChIKey of [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate?
The InChIKey is ARHFBDJSCGLTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(19)20-18-14(17)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18).
What are the key properties of [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate?
[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate has a molecular weight of 288.73 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate is sourced from PubChem (CID 133221313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).