2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride

C9H11ClN2O — CID 162338352

IUPAC2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1CNC2
InChIInChI=1S/C9H10N2O.ClH/c10-9(12)7-3-1-2-6-4-11-5-8(6)7;/h1-3,11H,4-5H2,(H2,10,12);1H
InChIKeyIDANOZRSDJWKIG-UHFFFAOYSA-N
MW198.65 g/mol
LogP0.81
Rot. Bonds1

About 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride

2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride (PubChem CID 162338352) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
PubChem CID162338352
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
SMILESCl.NC(=O)c1cccc2c1CNC2
InChIInChI=1S/C9H10N2O.ClH/c10-9(12)7-3-1-2-6-4-11-5-8(6)7;/h1-3,11H,4-5H2,(H2,10,12);1H
InChIKeyIDANOZRSDJWKIG-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride
CID 175813722
3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 130041063
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 131036761
2-hydroxy-1,3-dihydroisoindole-4-carboxamide
CID 170693417
9H-fluorene-1-carboxamide
CID 18474131
methyl 4-(2,3-dihydro-1H-isoindole-4-carbonyl)piperazine-1-carboxylate
CID 163403218
9H-fluorene-1,8-dicarboxamide
CID 21019291
2,3-dihydro-1H-isoindol-4-yl-[4-[1-(2-methoxyethoxy)ethenyl]piperazin-1-yl]methanone
CID 142475427
benzene-1,2-dicarboxamide;piperazine
CID 159137360
N'-hydroxy-1,2,3,4-tetrahydroisoquinoline-5-carboximidamide
CID 87154170
2-(2,3-dihydro-1H-isoindol-4-yloxy)acetic acid
CID 84664529
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzamide
CID 63101108

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride (CID 162338352) is 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride is Cl.NC(=O)c1cccc2c1CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
The InChIKey is IDANOZRSDJWKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.ClH/c10-9(12)7-3-1-2-6-4-11-5-8(6)7;/h1-3,11H,4-5H2,(H2,10,12);1H.
What are the key properties of 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride?
2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-4-carboxamide;hydrochloride is sourced from PubChem (CID 162338352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).