1-benzyl-5-hydroxy-2-methylindole-3-carboxamide

C17H16N2O2 — CID 3843286

IUPAC1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-11-16(17(18)21)14-9-13(20)7-8-15(14)19(11)10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H2,18,21)
InChIKeyYFOMUBGDQGNBEW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.80
Rot. Bonds3

About 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide

1-benzyl-5-hydroxy-2-methylindole-3-carboxamide (PubChem CID 3843286) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
PubChem CID3843286
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzyl-5-hydroxy-2-methylindole-3-carboxamide
SMILESCc1c(C(N)=O)c2cc(O)ccc2n1Cc1ccccc1
InChIInChI=1S/C17H16N2O2/c1-11-16(17(18)21)14-9-13(20)7-8-15(14)19(11)10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H2,18,21)
InChIKeyYFOMUBGDQGNBEW-UHFFFAOYSA-N
XLogP2.80
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-hydroxy-2,6-dimethylindole-3-carboxamide
CID 3852732
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
6-chloro-1-[(3-chlorophenyl)methyl]-5-hydroxy-2-methylindole-3-carboxamide
CID 3790292
2-methyl-1-(naphthalen-2-ylmethyl)indole-3-carboxamide
CID 91690131
2-(5-amino-1-benzyl-2-methylindol-3-yl)acetamide
CID 10732494
1-benzyl-5-(2-chloroethoxy)-2-methylindole-3-carboxylic acid
CID 22311809
1-benzyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3458607
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
ethyl 2-(3-acetyl-1-benzyl-2-methylindol-5-yl)oxyacetate
CID 1082711
benzyl 1-[2-(2,3-dichlorophenoxy)ethyl]-5-hydroxy-2-methylindole-3-carboxylate
CID 17380122
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
2-methyl-1-(naphthalen-2-ylmethyl)-5-phenylmethoxyindole-3-carboxylic acid
CID 18373351

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide?
The IUPAC name of 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide (CID 3843286) is 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide?
The canonical SMILES for 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide is Cc1c(C(N)=O)c2cc(O)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide?
The InChIKey is YFOMUBGDQGNBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-16(17(18)21)14-9-13(20)7-8-15(14)19(11)10-12-5-3-2-4-6-12/h2-9,20H,10H2,1H3,(H2,18,21).
What are the key properties of 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide?
1-benzyl-5-hydroxy-2-methylindole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-hydroxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 3843286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).