N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide

C16H14N2O3 — CID 170716792

IUPACN-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(O)c(O)c1
InChIInChI=1S/C16H14N2O3/c19-14-6-5-11(8-15(14)20)18-16(21)7-10-9-17-13-4-2-1-3-12(10)13/h1-6,8-9,17,19-20H,7H2,(H,18,21)
InChIKeyLYDGIMJQDPBKJJ-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.76
Rot. Bonds3

About N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide

N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide (PubChem CID 170716792) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
PubChem CID170716792
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(O)c(O)c1
InChIInChI=1S/C16H14N2O3/c19-14-6-5-11(8-15(14)20)18-16(21)7-10-9-17-13-4-2-1-3-12(10)13/h1-6,8-9,17,19-20H,7H2,(H,18,21)
InChIKeyLYDGIMJQDPBKJJ-UHFFFAOYSA-N
XLogP2.76
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
2-(1H-indol-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 38160633
2-(1H-indol-3-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140853
N-(2,3-dimethylquinoxalin-6-yl)-2-(1H-indol-3-yl)acetamide
CID 110743801
N-(9-ethylcarbazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 2466222
2-(1H-indol-3-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427960
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
CID 95785414
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112998163

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide (CID 170716792) is N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(O)c(O)c1.
What is the InChIKey of N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide?
The InChIKey is LYDGIMJQDPBKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14-6-5-11(8-15(14)20)18-16(21)7-10-9-17-13-4-2-1-3-12(10)13/h1-6,8-9,17,19-20H,7H2,(H,18,21).
What are the key properties of N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide?
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 170716792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).