(4-cyanophenyl) 2-anilino-2-oxoacetate

C15H10N2O3 — CID 58981566

IUPAC(4-cyanophenyl) 2-anilino-2-oxoacetate
SMILESN#Cc1ccc(OC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H10N2O3/c16-10-11-6-8-13(9-7-11)20-15(19)14(18)17-12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChIKeyMYLLGZDPOAWWSP-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.10
Rot. Bonds2

About (4-cyanophenyl) 2-anilino-2-oxoacetate

(4-cyanophenyl) 2-anilino-2-oxoacetate (PubChem CID 58981566) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is (4-cyanophenyl) 2-anilino-2-oxoacetate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-anilino-2-oxoacetate
PubChem CID58981566
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name(4-cyanophenyl) 2-anilino-2-oxoacetate
SMILESN#Cc1ccc(OC(=O)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H10N2O3/c16-10-11-6-8-13(9-7-11)20-15(19)14(18)17-12-4-2-1-3-5-12/h1-9H,(H,17,18)
InChIKeyMYLLGZDPOAWWSP-UHFFFAOYSA-N
XLogP2.10
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
N-[(4-cyanophenyl)methyl]-N'-phenyloxamide
CID 166188116
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(4-cyanophenyl)-N'-(3-methoxyphenyl)oxamide
CID 108519400
N'-[(4-cyanophenyl)methylideneamino]-N-phenyloxamide
CID 3544444
(2S)-2-(4-cyanophenoxy)-N-(4-methylphenyl)-2-phenylacetamide
CID 9012640
[4-[(2-anilino-2-oxoacetyl)amino]phenyl] N-aminocarbamate
CID 19845067
N'-(2-cyanophenyl)-N-(4-cyanophenyl)oxamide
CID 108501554
4-[[4-(4-cyanophenyl)phenoxy]methyl]-N-phenylbenzamide
CID 7670252
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
(4-acetamidophenyl) 2-(4-cyanophenoxy)acetate
CID 26681952

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-anilino-2-oxoacetate?
The IUPAC name of (4-cyanophenyl) 2-anilino-2-oxoacetate (CID 58981566) is (4-cyanophenyl) 2-anilino-2-oxoacetate.
What is the SMILES notation for (4-cyanophenyl) 2-anilino-2-oxoacetate?
The canonical SMILES for (4-cyanophenyl) 2-anilino-2-oxoacetate is N#Cc1ccc(OC(=O)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of (4-cyanophenyl) 2-anilino-2-oxoacetate?
The InChIKey is MYLLGZDPOAWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c16-10-11-6-8-13(9-7-11)20-15(19)14(18)17-12-4-2-1-3-5-12/h1-9H,(H,17,18).
What are the key properties of (4-cyanophenyl) 2-anilino-2-oxoacetate?
(4-cyanophenyl) 2-anilino-2-oxoacetate has a molecular weight of 266.26 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-anilino-2-oxoacetate is sourced from PubChem (CID 58981566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).