N-(4-aminophenyl)-2,6-dihydroxybenzamide

C13H12N2O3 — CID 107687533

IUPACN-(4-aminophenyl)-2,6-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2c(O)cccc2O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,14H2,(H,15,18)
InChIKeyPBPCTXHCDGSHQL-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.93
Rot. Bonds2

About N-(4-aminophenyl)-2,6-dihydroxybenzamide

N-(4-aminophenyl)-2,6-dihydroxybenzamide (PubChem CID 107687533) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is N-(4-aminophenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2,6-dihydroxybenzamide
PubChem CID107687533
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC NameN-(4-aminophenyl)-2,6-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2c(O)cccc2O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,14H2,(H,15,18)
InChIKeyPBPCTXHCDGSHQL-UHFFFAOYSA-N
XLogP1.93
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-2,6-dihydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2,6-dimethylbenzamide
CID 114025945
2,6-dihydroxy-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]benzamide
CID 107690793
N-(3-amino-4-chlorophenyl)-2,6-dihydroxybenzamide
CID 107687543
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495
2,6-dihydroxy-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103890666
N-(3-acetamidophenyl)-2,6-dihydroxybenzamide
CID 103748896
N-(3,5-dichlorophenyl)-2,6-dihydroxybenzamide
CID 107688954
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
CID 107687612
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-(4-chlorophenyl)-2-hydroxy-6-methylbenzamide
CID 46215145
N-(6-fluoro-3-pyridinyl)-2,6-dihydroxybenzamide
CID 103923595
2,6-dihydroxy-N-(3-methylphenyl)benzamide
CID 103748871

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4-aminophenyl)-2,6-dihydroxybenzamide (CID 107687533) is N-(4-aminophenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4-aminophenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4-aminophenyl)-2,6-dihydroxybenzamide is Nc1ccc(NC(=O)c2c(O)cccc2O)cc1.
What is the InChIKey of N-(4-aminophenyl)-2,6-dihydroxybenzamide?
The InChIKey is PBPCTXHCDGSHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c14-8-4-6-9(7-5-8)15-13(18)12-10(16)2-1-3-11(12)17/h1-7,16-17H,14H2,(H,15,18).
What are the key properties of N-(4-aminophenyl)-2,6-dihydroxybenzamide?
N-(4-aminophenyl)-2,6-dihydroxybenzamide has a molecular weight of 244.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107687533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).