N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide

C22H21N3O — CID 126638230

IUPACN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1
InChIInChI=1S/C22H21N3O/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25/h1-11,14H,12-13,15,23H2,(H,24,26)
InChIKeyLJDWIJKFZDVWQQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.08
Rot. Bonds4

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

N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide (PubChem CID 126638230) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
PubChem CID126638230
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide
SMILESNc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1
InChIInChI=1S/C22H21N3O/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25/h1-11,14H,12-13,15,23H2,(H,24,26)
InChIKeyLJDWIJKFZDVWQQ-UHFFFAOYSA-N
XLogP4.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide;2,3-dihydro-1H-indole;3-(2,3-dihydroindol-1-ylmethyl)benzoic acid;4-ethylbenzoic acid;1-(4-ethylphenyl)-2-hydroxyethanone
CID 162040931
N-(2,4-difluorophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 92674557
2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
N-[2-(2,3-dihydroindol-1-ylmethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55817081
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 51229689
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
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)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 30394647
N-(2,3-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99950871
N-(4-acetamidophenyl)-4-(2,3-dihydroindol-1-ylmethyl)benzamide
CID 46771578

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide (CID 126638230) is N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide is Nc1ccccc1NC(=O)c1cccc(CN2CCc3ccccc32)c1.
What is the InChIKey of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide?
The InChIKey is LJDWIJKFZDVWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c23-19-9-2-3-10-20(19)24-22(26)18-8-5-6-16(14-18)15-25-13-12-17-7-1-4-11-21(17)25/h1-11,14H,12-13,15,23H2,(H,24,26).
What are the key properties of N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide?
N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2,3-dihydroindol-1-ylmethyl)benzamide is sourced from PubChem (CID 126638230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).