[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate

C24H20N2O5 — CID 4882643

IUPAC[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O5/c1-16(27)18-11-5-7-13-20(18)25-22(28)15-31-24(30)19-12-6-8-14-21(19)26-23(29)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyVRFSANPTNOVYJB-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.94
Rot. Bonds7

About [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate

[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate (PubChem CID 4882643) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate
PubChem CID4882643
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC Name[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate
SMILESCC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1
InChIInChI=1S/C24H20N2O5/c1-16(27)18-11-5-7-13-20(18)25-22(28)15-31-24(30)19-12-6-8-14-21(19)26-23(29)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,28)(H,26,29)
InChIKeyVRFSANPTNOVYJB-UHFFFAOYSA-N
XLogP3.94
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Methyl 2-[(2-methyl-1-oxopropyl)amino]benzoate
CID 829361
Colfenamate
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Phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
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Benzoic acid, 2,2'-[1,4-phenylenebis(carbonylimino)]bis-
CID 1069143
2-Fluorobenzyl 2-(acetylamino)benzoate
CID 1262491
Dimethyl 2-(oxolane-2-carbonylamino)benzene-1,4-dicarboxylate
CID 2932469
(2-Oxo-1,2-dihydroquinolin-3-yl)methyl benzoate
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phenacyl 6-methyl-2-oxo-1H-quinoline-4-carboxylate
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CID 903133

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate (CID 4882643) is [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate.
What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate is CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1.
What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate?
The InChIKey is VRFSANPTNOVYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-16(27)18-11-5-7-13-20(18)25-22(28)15-31-24(30)19-12-6-8-14-21(19)26-23(29)17-9-3-2-4-10-17/h2-14H,15H2,1H3,(H,25,28)(H,26,29).
What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate?
[2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate has a molecular weight of 416.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-acetylanilino)-2-oxoethyl] 2-benzamidobenzoate is sourced from PubChem (CID 4882643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).