4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide

C24H24N2O — CID 99953473

IUPAC4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-2-18-9-13-22(14-10-18)25-24(27)21-11-7-19(8-12-21)17-26-16-15-20-5-3-4-6-23(20)26/h3-14H,2,15-17H2,1H3,(H,25,27)
InChIKeyDXMPPUJLOGDQAU-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.06
Rot. Bonds5

About 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide

4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide (PubChem CID 99953473) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
PubChem CID99953473
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C24H24N2O/c1-2-18-9-13-22(14-10-18)25-24(27)21-11-7-19(8-12-21)17-26-16-15-20-5-3-4-6-23(20)26/h3-14H,2,15-17H2,1H3,(H,25,27)
InChIKeyDXMPPUJLOGDQAU-UHFFFAOYSA-N
XLogP5.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
4-(2,3-dihydroindol-1-ylmethyl)-N-(3-propan-2-yloxyphenyl)benzamide
CID 92682378
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92683297
2-amino-N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]pentanamide;dihydrochloride
CID 119866785
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(2,3-dihydroindol-1-ylmethyl)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43915643
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide (CID 99953473) is 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide is CCc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide?
The InChIKey is DXMPPUJLOGDQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-18-9-13-22(14-10-18)25-24(27)21-11-7-19(8-12-21)17-26-16-15-20-5-3-4-6-23(20)26/h3-14H,2,15-17H2,1H3,(H,25,27).
What are the key properties of 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide?
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide has a molecular weight of 356.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide is sourced from PubChem (CID 99953473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).