(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate

C20H16N2O4 — CID 57166754

IUPAC(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
SMILESNc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2N)ccc1O
InChIInChI=1S/C20H16N2O4/c21-15-11-14(6-8-17(15)23)20(25)26-18-9-7-13(10-16(18)22)19(24)12-4-2-1-3-5-12/h1-11,23H,21-22H2
InChIKeyHBMZXIKTKXLOLN-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.01
Rot. Bonds4

About (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate

(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate (PubChem CID 57166754) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate.

Molecular Properties

Compound Name(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
PubChem CID57166754
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate
SMILESNc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2N)ccc1O
InChIInChI=1S/C20H16N2O4/c21-15-11-14(6-8-17(15)23)20(25)26-18-9-7-13(10-16(18)22)19(24)12-4-2-1-3-5-12/h1-11,23H,21-22H2
InChIKeyHBMZXIKTKXLOLN-UHFFFAOYSA-N
XLogP3.01
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

phenyl 3-amino-4-hydroxybenzoate
CID 154120307
(5-amino-2-hydroxyphenyl) benzoate
CID 12648522
[3-amino-4-[(2-amino-4-benzoylphenyl)disulfanyl]phenyl]-phenylmethanone
CID 46862067
(3-amino-4-fluorophenyl)-phenylmethanone
CID 18962631
[2-(3,4-dihydroxybenzoyl)oxyphenyl] 3,4-dihydroxybenzoate
CID 59350326
(2-phenylacetyl) 3-amino-4-hydroxybenzoate
CID 11708822
3-amino-4-hydroxybenzoic acid
CID 161134080
phenyl 3,4-diaminobenzoate
CID 22184045
phenyl 4-amino-3-hydroxybenzoate
CID 141431742
(2,4-dibromophenyl) 4-benzoylbenzoate
CID 2316078
[3-[3-amino-4-(4-phenylphenoxy)benzoyl]phenyl]-[3-amino-4-(4-phenylphenoxy)phenyl]methanone
CID 139806354
2-(4-benzoyl-2-hydroxyphenoxy)ethyl carbonochloridate
CID 19812164

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate?
The IUPAC name of (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate (CID 57166754) is (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate.
What is the SMILES notation for (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate?
The canonical SMILES for (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate is Nc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2N)ccc1O.
What is the InChIKey of (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate?
The InChIKey is HBMZXIKTKXLOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c21-15-11-14(6-8-17(15)23)20(25)26-18-9-7-13(10-16(18)22)19(24)12-4-2-1-3-5-12/h1-11,23H,21-22H2.
What are the key properties of (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate?
(2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate has a molecular weight of 348.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-benzoylphenyl) 3-amino-4-hydroxybenzoate is sourced from PubChem (CID 57166754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).