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

C15H16N2O3 — CID 107687648

IUPACN-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
SMILESCc1cc(N)c(NC(=O)c2c(O)cccc2O)cc1C
InChIInChI=1S/C15H16N2O3/c1-8-6-10(16)11(7-9(8)2)17-15(20)14-12(18)4-3-5-13(14)19/h3-7,18-19H,16H2,1-2H3,(H,17,20)
InChIKeyYJMRIRAGDXXQLH-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.55
Rot. Bonds2

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

N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide (PubChem CID 107687648) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
PubChem CID107687648
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
SMILESCc1cc(N)c(NC(=O)c2c(O)cccc2O)cc1C
InChIInChI=1S/C15H16N2O3/c1-8-6-10(16)11(7-9(8)2)17-15(20)14-12(18)4-3-5-13(14)19/h3-7,18-19H,16H2,1-2H3,(H,17,20)
InChIKeyYJMRIRAGDXXQLH-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

N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-methylbenzamide
CID 62097745
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
N-(2-amino-4,5-dimethylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731159
3-amino-4-[(2,6-dihydroxybenzoyl)amino]benzoic acid
CID 107687661
N-(2-amino-4,5-dimethylphenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 65151827
N-(2-amino-4,5-dimethylphenyl)-3-chloro-2-methylbenzamide
CID 107095769
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
CID 55037245
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924
N-(2-amino-4,5-dimethylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81446459
N-(3-amino-4-pyridinyl)-2,6-dihydroxybenzamide
CID 107687654
N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide (CID 107687648) is N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide is Cc1cc(N)c(NC(=O)c2c(O)cccc2O)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide?
The InChIKey is YJMRIRAGDXXQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-8-6-10(16)11(7-9(8)2)17-15(20)14-12(18)4-3-5-13(14)19/h3-7,18-19H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide?
N-(2-amino-4,5-dimethylphenyl)-2,6-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-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107687648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).