[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate

C34H24N2O6 — CID 154371121

IUPAC[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)Oc1cccc(OC(=O)c2ccccc2NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H24N2O6/c37-31(23-12-3-1-4-13-23)35-29-20-9-7-18-27(29)33(39)41-25-16-11-17-26(22-25)42-34(40)28-19-8-10-21-30(28)36-32(38)24-14-5-2-6-15-24/h1-22H,(H,35,37)(H,36,38)
InChIKeyGODQNXMBSQIUSP-UHFFFAOYSA-N
MW556.57 g/mol
LogP6.63
Rot. Bonds8

About [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate

[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate (PubChem CID 154371121) has the molecular formula C34H24N2O6 and a molecular weight of 556.57 g/mol. Its IUPAC name is [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate.

Molecular Properties

Compound Name[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
PubChem CID154371121
Molecular FormulaC34H24N2O6
Molecular Weight556.57 g/mol
Exact Mass556.16
IUPAC Name[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate
SMILESO=C(Nc1ccccc1C(=O)Oc1cccc(OC(=O)c2ccccc2NC(=O)c2ccccc2)c1)c1ccccc1
InChIInChI=1S/C34H24N2O6/c37-31(23-12-3-1-4-13-23)35-29-20-9-7-18-27(29)33(39)41-25-16-11-17-26(22-25)42-34(40)28-19-8-10-21-30(28)36-32(38)24-14-5-2-6-15-24/h1-22H,(H,35,37)(H,36,38)
InChIKeyGODQNXMBSQIUSP-UHFFFAOYSA-N
XLogP6.63
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.57
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3,4-dibenzamidophenyl) benzoate
CID 2749917
[2-(3-methoxyphenyl)-2-oxoethyl] 2-benzamidobenzoate
CID 1217734
methyl 2-[(3-ethoxybenzoyl)amino]benzoate
CID 881681
2-benzamidobenzamide
CID 702115
[2-(3-methoxyanilino)-2-oxoethyl] 2-benzamidobenzoate
CID 3641947
methyl 2-[(3-iodobenzoyl)amino]benzoate
CID 1019242
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
methyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049254
2-[3-[(4-chlorobenzoyl)amino]phenoxy]carbonylbenzoic acid
CID 23904668
zinc bis(2-benzamidobenzoate)
CID 67586546
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(4-iodophenyl)methyl 2-benzamidobenzoate
CID 4601230

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate?
The IUPAC name of [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate (CID 154371121) is [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate.
What is the SMILES notation for [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate?
The canonical SMILES for [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate is O=C(Nc1ccccc1C(=O)Oc1cccc(OC(=O)c2ccccc2NC(=O)c2ccccc2)c1)c1ccccc1.
What is the InChIKey of [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate?
The InChIKey is GODQNXMBSQIUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O6/c37-31(23-12-3-1-4-13-23)35-29-20-9-7-18-27(29)33(39)41-25-16-11-17-26(22-25)42-34(40)28-19-8-10-21-30(28)36-32(38)24-14-5-2-6-15-24/h1-22H,(H,35,37)(H,36,38).
What are the key properties of [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate?
[3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate has a molecular weight of 556.57 g/mol, XLogP of 6.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-benzamidobenzoyl)oxyphenyl] 2-benzamidobenzoate is sourced from PubChem (CID 154371121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).