[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate

C23H20N2O4 — CID 7229076

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c1-16(26)24-18-10-7-11-19(14-18)25-22(27)15-29-23(28)21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVZBFHQKIKZXPHI-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.11
Rot. Bonds6

About [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate

[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate (PubChem CID 7229076) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
PubChem CID7229076
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C23H20N2O4/c1-16(26)24-18-10-7-11-19(14-18)25-22(27)15-29-23(28)21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyVZBFHQKIKZXPHI-UHFFFAOYSA-N
XLogP4.11
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229186
[2-(3-acetamidoanilino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 7722951
[2-(3-acetamidoanilino)-2-oxoethyl] 2-nitrobenzoate
CID 7864342
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-phenylbenzoate
CID 7554635
[2-(3-acetamidoanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149168
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)benzoate
CID 2335239
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229184

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate (CID 7229076) is [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
The InChIKey is VZBFHQKIKZXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16(26)24-18-10-7-11-19(14-18)25-22(27)15-29-23(28)21-13-6-5-12-20(21)17-8-3-2-4-9-17/h2-14H,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate has a molecular weight of 388.42 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate is sourced from PubChem (CID 7229076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).