[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

C23H19F2NO4 — CID 7703768

IUPAC[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO4/c24-23(25)30-20-12-10-19(11-13-20)26-21(27)15-29-22(28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,23H,14-15H2,(H,26,27)
InChIKeyOBDPGSWKSFBRCP-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.68
Rot. Bonds8

About [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (PubChem CID 7703768) has the molecular formula C23H19F2NO4 and a molecular weight of 411.40 g/mol. Its IUPAC name is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
PubChem CID7703768
Molecular FormulaC23H19F2NO4
Molecular Weight411.40 g/mol
Exact Mass411.13
IUPAC Name[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C23H19F2NO4/c24-23(25)30-20-12-10-19(11-13-20)26-21(27)15-29-22(28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,23H,14-15H2,(H,26,27)
InChIKeyOBDPGSWKSFBRCP-UHFFFAOYSA-N
XLogP4.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2387543
[2-(4-bromoanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]acetate
CID 33349708
[2-oxo-2-(4-phenylanilino)ethyl] 2-(4-methoxyphenyl)acetate
CID 8011307
[2-(4-methoxyanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 8009828
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 55358925
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763
[2-(4-acetylanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 2369177
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(4-phenylphenyl)acetate
CID 2119188
[2-(4-cyanoanilino)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 4803020
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324482
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-phenoxybutanoate
CID 7185737
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7704331

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The IUPAC name of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate (CID 7703768) is [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate.
What is the SMILES notation for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The canonical SMILES for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
The InChIKey is OBDPGSWKSFBRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO4/c24-23(25)30-20-12-10-19(11-13-20)26-21(27)15-29-22(28)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,23H,14-15H2,(H,26,27).
What are the key properties of [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate?
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate has a molecular weight of 411.40 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-(4-phenylphenyl)acetate is sourced from PubChem (CID 7703768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).