[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium

C15H14ClN2O2+ — CID 6340724

IUPAC[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium
SMILESNC(=[NH+]OC(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(17)18-20-14(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18)/p+1
InChIKeyGWUGZOZPXGRRLD-UHFFFAOYSA-O
MW289.74 g/mol
LogP0.83
Rot. Bonds4

About [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium

[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium (PubChem CID 6340724) has the molecular formula C15H14ClN2O2+ and a molecular weight of 289.74 g/mol. Its IUPAC name is [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium.

Molecular Properties

Compound Name[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium
PubChem CID6340724
Molecular FormulaC15H14ClN2O2+
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium
SMILESNC(=[NH+]OC(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(17)18-20-14(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18)/p+1
InChIKeyGWUGZOZPXGRRLD-UHFFFAOYSA-O
XLogP0.83
TPSA66.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium
CID 3452210
[(Z)-(1-amino-2-phenylethylidene)amino] 2-chlorobenzoate
CID 133221313
2,2-dichloroethyl 2-phenylacetate
CID 102088308
[amino-(2-chlorophenyl)methylidene]-(4-nitrobenzoyl)oxyazanium
CID 5162152
CID 174393592
CID 174393592
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
ethyl 2-phenylacetate
CID 7590
(2-phenylacetyl) 2-aminobenzoate
CID 157127364
2-benzyl-3-chlorobenzamide
CID 23225157
methylsilyl 2-phenylacetate
CID 148919799
ethyl 2-phenylacetate;hydrate
CID 141257001
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168

Frequently Asked Questions

What is the IUPAC name of [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The IUPAC name of [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium (CID 6340724) is [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium.
What is the SMILES notation for [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The canonical SMILES for [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium is NC(=[NH+]OC(=O)Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium?
The InChIKey is GWUGZOZPXGRRLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H13ClN2O2/c16-13-9-5-4-8-12(13)15(17)18-20-14(19)10-11-6-2-1-3-7-11/h1-9H,10H2,(H2,17,18)/p+1.
What are the key properties of [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium?
[amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium has a molecular weight of 289.74 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(2-chlorophenyl)methylidene]-(2-phenylacetyl)oxyazanium is sourced from PubChem (CID 6340724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).