3-acetyl-1-benzylindole-5-carboxamide

C18H16N2O2 — CID 22382729

IUPAC3-acetyl-1-benzylindole-5-carboxamide
SMILESCC(=O)c1cn(Cc2ccccc2)c2ccc(C(N)=O)cc12
InChIInChI=1S/C18H16N2O2/c1-12(21)16-11-20(10-13-5-3-2-4-6-13)17-8-7-14(18(19)22)9-15(16)17/h2-9,11H,10H2,1H3,(H2,19,22)
InChIKeySMPPSKHBFXLAHR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.99
Rot. Bonds4

About 3-acetyl-1-benzylindole-5-carboxamide

3-acetyl-1-benzylindole-5-carboxamide (PubChem CID 22382729) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-acetyl-1-benzylindole-5-carboxamide.

Molecular Properties

Compound Name3-acetyl-1-benzylindole-5-carboxamide
PubChem CID22382729
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-acetyl-1-benzylindole-5-carboxamide
SMILESCC(=O)c1cn(Cc2ccccc2)c2ccc(C(N)=O)cc12
InChIInChI=1S/C18H16N2O2/c1-12(21)16-11-20(10-13-5-3-2-4-6-13)17-8-7-14(18(19)22)9-15(16)17/h2-9,11H,10H2,1H3,(H2,19,22)
InChIKeySMPPSKHBFXLAHR-UHFFFAOYSA-N
XLogP2.99
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-benzyl-5-chloroindole-3-carboxylic acid
CID 10565097
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
[4-[(5-carbamoyl-3-methylindol-1-yl)methyl]phenyl]boronic acid
CID 155710977
4-(1-benzyl-5-chloroindol-3-yl)-4-hydroxybut-3-en-2-one
CID 74062179
4-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]benzamide
CID 86969115
1-benzyl-3-(3,4-dimethoxybenzoyl)quinolin-4-one
CID 2137046
ethyl 3-acetyl-1-ethylindole-5-carboxylate
CID 170857395
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104
1-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]ethanone
CID 11580237
1-benzyl-N-[4-(dimethylcarbamoyl)phenyl]indole-3-carboxamide
CID 25409377
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-benzylindole-5-carboxamide?
The IUPAC name of 3-acetyl-1-benzylindole-5-carboxamide (CID 22382729) is 3-acetyl-1-benzylindole-5-carboxamide.
What is the SMILES notation for 3-acetyl-1-benzylindole-5-carboxamide?
The canonical SMILES for 3-acetyl-1-benzylindole-5-carboxamide is CC(=O)c1cn(Cc2ccccc2)c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-acetyl-1-benzylindole-5-carboxamide?
The InChIKey is SMPPSKHBFXLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(21)16-11-20(10-13-5-3-2-4-6-13)17-8-7-14(18(19)22)9-15(16)17/h2-9,11H,10H2,1H3,(H2,19,22).
What are the key properties of 3-acetyl-1-benzylindole-5-carboxamide?
3-acetyl-1-benzylindole-5-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-benzylindole-5-carboxamide is sourced from PubChem (CID 22382729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).