[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate

C20H16N2O4 — CID 6612290

IUPAC[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C20H16N2O4/c21-15-8-4-13(5-9-15)19(23)25-17-2-1-3-18(12-17)26-20(24)14-6-10-16(22)11-7-14/h1-12H,21-22H2
InChIKeyVRJPMYDKXNTGFV-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.29
Rot. Bonds4

About [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate

[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate (PubChem CID 6612290) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate.

Molecular Properties

Compound Name[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
PubChem CID6612290
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate
SMILESNc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C20H16N2O4/c21-15-8-4-13(5-9-15)19(23)25-17-2-1-3-18(12-17)26-20(24)14-6-10-16(22)11-7-14/h1-12H,21-22H2
InChIKeyVRJPMYDKXNTGFV-UHFFFAOYSA-N
XLogP3.29
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methoxyphenyl) benzene-1,4-dicarboxylate
CID 91738938
phenyl 4-[4-(4-aminophenoxy)carbonylphenyl]benzoate
CID 68524918
(4-amino-3-chlorophenyl) 4-aminobenzoate
CID 23318660
[3-(pyridine-4-carbonyloxy)phenyl] pyridine-4-carboxylate
CID 4582342
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
4-[4-(4-aminophenoxy)carbonylbenzoyl]oxybenzoic acid
CID 163886316
[3-(3-benzoyloxyphenoxy)carbonyloxyphenyl] benzoate
CID 22982979
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
[3-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350341
phenyl 3,4-diaminobenzoate
CID 22184045
[4-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate;4-(4-aminophenoxy)aniline;4-[4-[4-(4-aminophenoxy)phenyl]phenoxy]aniline
CID 167612006
[4-[1-(4-aminophenyl)ethenoxy]phenyl] 4-aminobenzoate
CID 158295997

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate?
The IUPAC name of [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate (CID 6612290) is [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate.
What is the SMILES notation for [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate?
The canonical SMILES for [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate is Nc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(N)cc3)c2)cc1.
What is the InChIKey of [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate?
The InChIKey is VRJPMYDKXNTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c21-15-8-4-13(5-9-15)19(23)25-17-2-1-3-18(12-17)26-20(24)14-6-10-16(22)11-7-14/h1-12H,21-22H2.
What are the key properties of [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate?
[3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate has a molecular weight of 348.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminobenzoyl)oxyphenyl] 4-aminobenzoate is sourced from PubChem (CID 6612290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).