4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide

C18H18N2O2 — CID 53109968

IUPAC4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C18H18N2O2/c1-12(21)20-10-9-16-11-15(7-8-17(16)20)13-3-5-14(6-4-13)18(22)19-2/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyVXOBTXCSCMIRNE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.62
Rot. Bonds2

About 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide (PubChem CID 53109968) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
PubChem CID53109968
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1
InChIInChI=1S/C18H18N2O2/c1-12(21)20-10-9-16-11-15(7-8-17(16)20)13-3-5-14(6-4-13)18(22)19-2/h3-8,11H,9-10H2,1-2H3,(H,19,22)
InChIKeyVXOBTXCSCMIRNE-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-acetyl-2,3-dihydroindol-5-yl)-N-cycloheptylbenzamide
CID 53043799
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[(4-chlorophenyl)methyl]benzamide
CID 53043801
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53109956
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-2-one
CID 82540699
1-acetyl-N-ethoxy-2,3-dihydroindole-5-carboxamide
CID 43048030
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(methylsulfamoyl)benzamide
CID 51219427
1-acetyl-N-[3-(methylamino)propyl]-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119259944
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962
1-acetyl-N-[(2R)-1-(4-phenylphenyl)propan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 51959933
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
4-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]-3-methylbutanoic acid
CID 110447520

Frequently Asked Questions

What is the IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide?
The IUPAC name of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide (CID 53109968) is 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide?
The canonical SMILES for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(c2)CCN3C(C)=O)cc1.
What is the InChIKey of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide?
The InChIKey is VXOBTXCSCMIRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(21)20-10-9-16-11-15(7-8-17(16)20)13-3-5-14(6-4-13)18(22)19-2/h3-8,11H,9-10H2,1-2H3,(H,19,22).
What are the key properties of 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide?
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-acetyl-2,3-dihydroindol-5-yl)-N-methylbenzamide is sourced from PubChem (CID 53109968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).