[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate

C23H18N2O3 — CID 4803020

IUPAC[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESN#Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O3/c24-15-18-8-12-21(13-9-18)25-22(26)16-28-23(27)14-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13H,14,16H2,(H,25,26)
InChIKeyPXDOMTJDEZUVQP-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.95
Rot. Bonds6

About [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 4803020) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID4803020
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESN#Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H18N2O3/c24-15-18-8-12-21(13-9-18)25-22(26)16-28-23(27)14-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13H,14,16H2,(H,25,26)
InChIKeyPXDOMTJDEZUVQP-UHFFFAOYSA-N
XLogP3.95
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828754
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703794
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7703768
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968961
[2-oxo-2-(4-phenylanilino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate
CID 7977850
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 4803020) is [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is PXDOMTJDEZUVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c24-15-18-8-12-21(13-9-18)25-22(26)16-28-23(27)14-17-6-10-20(11-7-17)19-4-2-1-3-5-19/h1-13H,14,16H2,(H,25,26).
What are the key properties of [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 370.41 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 4803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).