phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate

C26H19ClFNO2 — CID 142698564

IUPACphenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate
SMILESO=C(Cc1cc(-c2ccccc2)ccc1Nc1c(F)cccc1Cl)Oc1ccccc1
InChIInChI=1S/C26H19ClFNO2/c27-22-12-7-13-23(28)26(22)29-24-15-14-19(18-8-3-1-4-9-18)16-20(24)17-25(30)31-21-10-5-2-6-11-21/h1-16,29H,17H2
InChIKeyALPLLLVYWVADGN-UHFFFAOYSA-N
MW431.89 g/mol
LogP7.04
Rot. Bonds6

About phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate

phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate (PubChem CID 142698564) has the molecular formula C26H19ClFNO2 and a molecular weight of 431.89 g/mol. Its IUPAC name is phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate.

Molecular Properties

Compound Namephenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate
PubChem CID142698564
Molecular FormulaC26H19ClFNO2
Molecular Weight431.89 g/mol
Exact Mass431.11
IUPAC Namephenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate
SMILESO=C(Cc1cc(-c2ccccc2)ccc1Nc1c(F)cccc1Cl)Oc1ccccc1
InChIInChI=1S/C26H19ClFNO2/c27-22-12-7-13-23(28)26(22)29-24-15-14-19(18-8-3-1-4-9-18)16-20(24)17-25(30)31-21-10-5-2-6-11-21/h1-16,29H,17H2
InChIKeyALPLLLVYWVADGN-UHFFFAOYSA-N
XLogP7.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.89
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(nitrooxymethyl)phenyl] 2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetate
CID 58863363
2-[2-(2-chloro-6-fluoroanilino)-4-methylphenyl]acetic acid
CID 57434772
(2R,3R,4R,5S,6R)-6-[2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 71749854
[4-[2-[3,5-bis[[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy]phenyl]ethenyl]phenyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 76698678
phenyl N-(2,6-difluorophenyl)carbamate
CID 60631299
phenyl N-(5-bromo-4-chloro-2-fluorophenyl)carbamate
CID 166590808
5-[4-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyphenyl]-3H-dithiole-3-sulfonic acid
CID 174589181
phenyl N-(4-chloro-2-fluoro-5-methylphenyl)carbamate
CID 18615647
sodium 2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetate
CID 23689082
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
CID 7961913
2-chloro-6-fluoro-N-phenylaniline
CID 18546408
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate?
The IUPAC name of phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate (CID 142698564) is phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate.
What is the SMILES notation for phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate?
The canonical SMILES for phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate is O=C(Cc1cc(-c2ccccc2)ccc1Nc1c(F)cccc1Cl)Oc1ccccc1.
What is the InChIKey of phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate?
The InChIKey is ALPLLLVYWVADGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFNO2/c27-22-12-7-13-23(28)26(22)29-24-15-14-19(18-8-3-1-4-9-18)16-20(24)17-25(30)31-21-10-5-2-6-11-21/h1-16,29H,17H2.
What are the key properties of phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate?
phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate has a molecular weight of 431.89 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[2-(2-chloro-6-fluoroanilino)-5-phenylphenyl]acetate is sourced from PubChem (CID 142698564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).