2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide

C15H16N2O3 — CID 61317267

IUPAC2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NCc1cccc(O)c1O
InChIInChI=1S/C15H16N2O3/c16-14(19)8-10-4-1-2-6-12(10)17-9-11-5-3-7-13(18)15(11)20/h1-7,17-18,20H,8-9H2,(H2,16,19)
InChIKeyJOTPUDQIFLRNJC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide

2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide (PubChem CID 61317267) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
PubChem CID61317267
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccccc1NCc1cccc(O)c1O
InChIInChI=1S/C15H16N2O3/c16-14(19)8-10-4-1-2-6-12(10)17-9-11-5-3-7-13(18)15(11)20/h1-7,17-18,20H,8-9H2,(H2,16,19)
InChIKeyJOTPUDQIFLRNJC-UHFFFAOYSA-N
XLogP1.74
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
2-[2-[(2-chlorophenyl)methylamino]phenyl]acetamide
CID 43738427
2-[2-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43789637
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
3-[(2-methylanilino)methyl]benzene-1,2-diol
CID 61320102
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-[(2,3-dihydroxyphenyl)methylamino]benzonitrile
CID 61317436
2-[2-[(3,4-dichlorophenyl)methylamino]phenyl]acetamide
CID 43738436

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide (CID 61317267) is 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide is NC(=O)Cc1ccccc1NCc1cccc(O)c1O.
What is the InChIKey of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide?
The InChIKey is JOTPUDQIFLRNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-14(19)8-10-4-1-2-6-12(10)17-9-11-5-3-7-13(18)15(11)20/h1-7,17-18,20H,8-9H2,(H2,16,19).
What are the key properties of 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide?
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide has a molecular weight of 272.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 61317267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).