[2-(2-iminoacetyl)phenyl] 2-phenylacetate

C16H13NO3 — CID 91290911

IUPAC[2-(2-iminoacetyl)phenyl] 2-phenylacetate
SMILES[H]/N=C/C(=O)c1ccccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H13NO3/c17-11-14(18)13-8-4-5-9-15(13)20-16(19)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2/b17-11+
InChIKeyNCAKGBYOMQXLIN-GZTJUZNOSA-N
MW267.28 g/mol
LogP2.67
Rot. Bonds5

About [2-(2-iminoacetyl)phenyl] 2-phenylacetate

[2-(2-iminoacetyl)phenyl] 2-phenylacetate (PubChem CID 91290911) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is [2-(2-iminoacetyl)phenyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(2-iminoacetyl)phenyl] 2-phenylacetate
PubChem CID91290911
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name[2-(2-iminoacetyl)phenyl] 2-phenylacetate
SMILES[H]/N=C/C(=O)c1ccccc1OC(=O)Cc1ccccc1
InChIInChI=1S/C16H13NO3/c17-11-14(18)13-8-4-5-9-15(13)20-16(19)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2/b17-11+
InChIKeyNCAKGBYOMQXLIN-GZTJUZNOSA-N
XLogP2.67
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxyphenyl) 2-phenylacetate
CID 91699546
ethyl 2-[2-(2-iminoacetyl)phenoxy]acetate
CID 90857354
1-imino-3-phenylpropan-2-one
CID 54129851
2-[2-[4-(nitrooxymethyl)phenyl]acetyl]oxybenzoic acid
CID 16747516
phenyl 2-phenylacetate;zinc
CID 70522084
2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 17200232
barium(2+);hydride;phenyl 2-phenylacetate
CID 174636717
(2-quinolin-2-ylphenyl) 2-phenylacetate
CID 174629476
(2-phenylacetyl)oxy formate
CID 173278028
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
[2-(2-iminoacetyl)phenyl] 2-nitrobenzenesulfonate
CID 90969790
(2-chlorophenyl) 2-(4-chlorophenyl)acetate
CID 3431914

Frequently Asked Questions

What is the IUPAC name of [2-(2-iminoacetyl)phenyl] 2-phenylacetate?
The IUPAC name of [2-(2-iminoacetyl)phenyl] 2-phenylacetate (CID 91290911) is [2-(2-iminoacetyl)phenyl] 2-phenylacetate.
What is the SMILES notation for [2-(2-iminoacetyl)phenyl] 2-phenylacetate?
The canonical SMILES for [2-(2-iminoacetyl)phenyl] 2-phenylacetate is [H]/N=C/C(=O)c1ccccc1OC(=O)Cc1ccccc1.
What is the InChIKey of [2-(2-iminoacetyl)phenyl] 2-phenylacetate?
The InChIKey is NCAKGBYOMQXLIN-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NO3/c17-11-14(18)13-8-4-5-9-15(13)20-16(19)10-12-6-2-1-3-7-12/h1-9,11,17H,10H2/b17-11+.
What are the key properties of [2-(2-iminoacetyl)phenyl] 2-phenylacetate?
[2-(2-iminoacetyl)phenyl] 2-phenylacetate has a molecular weight of 267.28 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iminoacetyl)phenyl] 2-phenylacetate is sourced from PubChem (CID 91290911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).