N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide

C15H16N2O3 — CID 107702239

IUPACN-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O3/c1-8-3-11(16)4-9(2)14(8)17-15(20)10-5-12(18)7-13(19)6-10/h3-7,18-19H,16H2,1-2H3,(H,17,20)
InChIKeyIWXLRBAAOHBNAY-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.55
Rot. Bonds2

About N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide

N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide (PubChem CID 107702239) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
PubChem CID107702239
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O3/c1-8-3-11(16)4-9(2)14(8)17-15(20)10-5-12(18)7-13(19)6-10/h3-7,18-19H,16H2,1-2H3,(H,17,20)
InChIKeyIWXLRBAAOHBNAY-UHFFFAOYSA-N
XLogP2.55
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
3,5-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 918543
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
3-amino-5-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 78984369
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(4-amino-2-ethyl-6-methylphenyl)-4-chlorobenzamide
CID 50880400
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
N-(4-amino-2,6-dimethylphenyl)-2,5-dibromothiophene-3-carboxamide
CID 107959498
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide (CID 107702239) is N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide is Cc1cc(N)cc(C)c1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is IWXLRBAAOHBNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-3-11(16)4-9(2)14(8)17-15(20)10-5-12(18)7-13(19)6-10/h3-7,18-19H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide?
N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).