[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate

C18H16F2N2O5 — CID 2512945

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H16F2N2O5/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-26-17(25)12-3-2-4-15(9-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCPQGHJYCZPSDMV-UHFFFAOYSA-N
MW378.33 g/mol
LogP3.04
Rot. Bonds7

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate (PubChem CID 2512945) has the molecular formula C18H16F2N2O5 and a molecular weight of 378.33 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
PubChem CID2512945
Molecular FormulaC18H16F2N2O5
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1
InChIInChI=1S/C18H16F2N2O5/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-26-17(25)12-3-2-4-15(9-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,23)(H,22,24)
InChIKeyCPQGHJYCZPSDMV-UHFFFAOYSA-N
XLogP3.04
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512864
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
[2-(tert-butylamino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2693137
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512889
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-bromoanilino)-2-oxoethyl] 3-methoxybenzoate
CID 7824538
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate (CID 2512945) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(OC(F)F)c2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate?
The InChIKey is CPQGHJYCZPSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O5/c1-11(23)21-13-5-7-14(8-6-13)22-16(24)10-26-17(25)12-3-2-4-15(9-12)27-18(19)20/h2-9,18H,10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate has a molecular weight of 378.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate is sourced from PubChem (CID 2512945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).