methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate

C15H14N2O4 — CID 107074324

IUPACmethyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(O)ccc2N)cc1
InChIInChI=1S/C15H14N2O4/c1-21-15(20)9-2-4-10(5-3-9)17-14(19)12-8-11(18)6-7-13(12)16/h2-8,18H,16H2,1H3,(H,17,19)
InChIKeyVDRFRIJSEROENC-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.01
Rot. Bonds3

About methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate

methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate (PubChem CID 107074324) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
PubChem CID107074324
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(O)ccc2N)cc1
InChIInChI=1S/C15H14N2O4/c1-21-15(20)9-2-4-10(5-3-9)17-14(19)12-8-11(18)6-7-13(12)16/h2-8,18H,16H2,1H3,(H,17,19)
InChIKeyVDRFRIJSEROENC-UHFFFAOYSA-N
XLogP2.01
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
methyl 4-[(4-aminopyridine-3-carbonyl)amino]benzoate
CID 110861759
2-amino-N-[4-(difluoromethoxy)phenyl]-5-hydroxybenzamide
CID 107073991
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
methyl 4-[2-[4-[[2-amino-5-(cyclopropylmethoxy)benzoyl]amino]phenyl]ethyl]benzoate
CID 118863680
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
methyl 4-[(5-amino-2-methylpyridine-3-carbonyl)amino]benzoate
CID 61117590
methyl 4-[(3-hydroxy-5-methylbenzoyl)amino]benzoate
CID 176550811
methyl 4-[(3,5-dibromo-2,6-dihydroxybenzoyl)amino]benzoate
CID 10160753

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate (CID 107074324) is methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(O)ccc2N)cc1.
What is the InChIKey of methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate?
The InChIKey is VDRFRIJSEROENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-21-15(20)9-2-4-10(5-3-9)17-14(19)12-8-11(18)6-7-13(12)16/h2-8,18H,16H2,1H3,(H,17,19).
What are the key properties of methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate?
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate has a molecular weight of 286.29 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate is sourced from PubChem (CID 107074324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).