2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride

C18H23Cl2N3O — CID 119946701

IUPAC2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1ccccc1N)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-13(21-11-10-14-6-2-5-9-17(14)21)12-20-18(22)15-7-3-4-8-16(15)19;;/h2-9,13H,10-12,19H2,1H3,(H,20,22);2*1H
InChIKeyPBPUYDPNUGMPQU-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.29
Rot. Bonds4

About 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride

2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride (PubChem CID 119946701) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
PubChem CID119946701
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride
SMILESCC(CNC(=O)c1ccccc1N)N1CCc2ccccc21.Cl.Cl
InChIInChI=1S/C18H21N3O.2ClH/c1-13(21-11-10-14-6-2-5-9-17(14)21)12-20-18(22)15-7-3-4-8-16(15)19;;/h2-9,13H,10-12,19H2,1H3,(H,20,22);2*1H
InChIKeyPBPUYDPNUGMPQU-UHFFFAOYSA-N
XLogP3.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.29
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-(2,3-dihydroindol-1-yl)propyl]-2-hydroxy-3-methoxybenzamide
CID 112819645
N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976526
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
3-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119953257
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119856818
(2S)-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-2-methylsulfonylpropanamide
CID 94028724
3-chloro-N-[(2R)-2-(2,3-dihydroindol-1-yl)propyl]-4-hydroxybenzamide
CID 37193661
2-(aminomethyl)-N-[2-(2,3-dihydroindol-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 119856819
N-[2-(2,3-dihydroindol-1-yl)propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 47035342
N-[2-(2,3-dihydroindol-1-yl)propyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112819630
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111504884

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride (CID 119946701) is 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride is CC(CNC(=O)c1ccccc1N)N1CCc2ccccc21.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride?
The InChIKey is PBPUYDPNUGMPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.2ClH/c1-13(21-11-10-14-6-2-5-9-17(14)21)12-20-18(22)15-7-3-4-8-16(15)19;;/h2-9,13H,10-12,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride?
2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride has a molecular weight of 368.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).