N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide

C26H28N2O — CID 30394647

IUPACN-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-20-9-7-10-21(4-2)25(20)27-26(29)23-14-12-19(13-15-23)18-28-17-16-22-8-5-6-11-24(22)28/h5-15H,3-4,16-18H2,1-2H3,(H,27,29)
InChIKeySWKVADQUCNMWNL-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.63
Rot. Bonds6

About N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide

N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide (PubChem CID 30394647) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
PubChem CID30394647
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESCCc1cccc(CC)c1NC(=O)c1ccc(CN2CCc3ccccc32)cc1
InChIInChI=1S/C26H28N2O/c1-3-20-9-7-10-21(4-2)25(20)27-26(29)23-14-12-19(13-15-23)18-28-17-16-22-8-5-6-11-24(22)28/h5-15H,3-4,16-18H2,1-2H3,(H,27,29)
InChIKeySWKVADQUCNMWNL-UHFFFAOYSA-N
XLogP5.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(2-ethyl-6-methylphenyl)benzamide
CID 28631466
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578
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
4-(2,3-dihydroindol-1-ylmethyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 43908264
2-(2-aminophenyl)-1-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]ethanone
CID 147623744
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-(2,6-diethylphenyl)-4-[(1,3-dioxoisoindol-2-yl)methyl]benzamide
CID 31820336

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide (CID 30394647) is N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide is CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCc3ccccc32)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
The InChIKey is SWKVADQUCNMWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-3-20-9-7-10-21(4-2)25(20)27-26(29)23-14-12-19(13-15-23)18-28-17-16-22-8-5-6-11-24(22)28/h5-15H,3-4,16-18H2,1-2H3,(H,27,29).
What are the key properties of N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide?
N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide has a molecular weight of 384.52 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide is sourced from PubChem (CID 30394647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).