[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate

C24H19NO6 — CID 57070632

IUPAC[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate
SMILESCC(=O)c1ccc(O)c(C(=O)OC(=O)c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H19NO6/c1-15(26)17-11-12-21(27)20(13-17)24(30)31-23(29)19-10-6-5-9-18(19)22(28)25-14-16-7-3-2-4-8-16/h2-13,27H,14H2,1H3,(H,25,28)
InChIKeyRRROAKORMKQADV-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.52
Rot. Bonds6

About [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate

[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate (PubChem CID 57070632) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate
PubChem CID57070632
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate
SMILESCC(=O)c1ccc(O)c(C(=O)OC(=O)c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C24H19NO6/c1-15(26)17-11-12-21(27)20(13-17)24(30)31-23(29)19-10-6-5-9-18(19)22(28)25-14-16-7-3-2-4-8-16/h2-13,27H,14H2,1H3,(H,25,28)
InChIKeyRRROAKORMKQADV-UHFFFAOYSA-N
XLogP3.52
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(5-acetyl-2-hydroxyphenyl)-3-phenylpropane-1,3-dione
CID 10107801
butyl 2-(benzylcarbamoyl)benzoate
CID 2306166
2-hydroxy-N-[(4-hydroxyphenyl)methyl]benzamide
CID 47148502
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
2-[(4-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 110483824
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573
5-(4-amino-2,6-dimethylphenoxy)-N-benzyl-2-hydroxybenzamide
CID 59041777
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate?
The IUPAC name of [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate (CID 57070632) is [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate.
What is the SMILES notation for [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate?
The canonical SMILES for [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate is CC(=O)c1ccc(O)c(C(=O)OC(=O)c2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate?
The InChIKey is RRROAKORMKQADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c1-15(26)17-11-12-21(27)20(13-17)24(30)31-23(29)19-10-6-5-9-18(19)22(28)25-14-16-7-3-2-4-8-16/h2-13,27H,14H2,1H3,(H,25,28).
What are the key properties of [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate?
[2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate has a molecular weight of 417.42 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoyl)benzoyl] 5-acetyl-2-hydroxybenzoate is sourced from PubChem (CID 57070632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).