2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide

C16H17NO4 — CID 102906466

IUPAC2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
SMILESCOCCc1ccccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c1-21-10-9-11-5-2-3-7-13(11)17-16(20)12-6-4-8-14(18)15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyJCGBJHMYUKJUQT-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.54
Rot. Bonds5

About 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide

2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide (PubChem CID 102906466) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
PubChem CID102906466
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
SMILESCOCCc1ccccc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C16H17NO4/c1-21-10-9-11-5-2-3-7-13(11)17-16(20)12-6-4-8-14(18)15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20)
InChIKeyJCGBJHMYUKJUQT-UHFFFAOYSA-N
XLogP2.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119
2-fluoro-4-hydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102978268
2-amino-N-[2-(2-methoxyethyl)phenyl]-4-methylbenzamide
CID 102907951
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
2-amino-5-fluoro-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102903161
2-hydroxy-N-(2-pentylphenyl)benzamide
CID 90027377
4-(bromomethyl)-N-[2-(2-methoxyethyl)phenyl]benzamide
CID 102904751
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
2-amino-3-fluoro-N-[2-(2-methoxyethyl)phenyl]pyridine-4-carboxamide
CID 102907943
2-[[2-(2-methoxyethyl)anilino]methyl]benzoic acid
CID 103268818
(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide?
The IUPAC name of 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide (CID 102906466) is 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide.
What is the SMILES notation for 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide?
The canonical SMILES for 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide is COCCc1ccccc1NC(=O)c1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide?
The InChIKey is JCGBJHMYUKJUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-21-10-9-11-5-2-3-7-13(11)17-16(20)12-6-4-8-14(18)15(12)19/h2-8,18-19H,9-10H2,1H3,(H,17,20).
What are the key properties of 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide?
2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide has a molecular weight of 287.31 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[2-(2-methoxyethyl)phenyl]benzamide is sourced from PubChem (CID 102906466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).