N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide

C14H13NO5 — CID 58240558

IUPACN-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(O)c2)cc(O)c1O
InChIInChI=1S/C14H13NO5/c1-7-4-8(5-12(18)13(7)19)14(20)15-9-2-3-10(16)11(17)6-9/h2-6,16-19H,1H3,(H,15,20)
InChIKeyBYYVURVJGZMROZ-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.07
Rot. Bonds2

About N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide

N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide (PubChem CID 58240558) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
PubChem CID58240558
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC NameN-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(O)c(O)c2)cc(O)c1O
InChIInChI=1S/C14H13NO5/c1-7-4-8(5-12(18)13(7)19)14(20)15-9-2-3-10(16)11(17)6-9/h2-6,16-19H,1H3,(H,15,20)
InChIKeyBYYVURVJGZMROZ-UHFFFAOYSA-N
XLogP2.07
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
N-(3-chloro-4-methylphenyl)-4-hydroxy-3-methylbenzamide
CID 103951695
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 107699249
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
N-(3-fluoro-4-methoxyphenyl)-4-hydroxy-3-methylbenzamide
CID 103951806
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
4-[1-(4-hydroxy-3-methylphenyl)ethenylamino]benzene-1,2-diol
CID 89193854
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64782946
1-(4-methylphenyl)-3-[(3,4,5-trihydroxybenzoyl)amino]urea
CID 170554757
N-(4-fluoro-3-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104628285

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide (CID 58240558) is N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide is Cc1cc(C(=O)Nc2ccc(O)c(O)c2)cc(O)c1O.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide?
The InChIKey is BYYVURVJGZMROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-7-4-8(5-12(18)13(7)19)14(20)15-9-2-3-10(16)11(17)6-9/h2-6,16-19H,1H3,(H,15,20).
What are the key properties of N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide?
N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide has a molecular weight of 275.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-3,4-dihydroxy-5-methylbenzamide is sourced from PubChem (CID 58240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).