4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide

C16H17N3O — CID 107653024

IUPAC4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
SMILESNc1cccc2c1CCN2C(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O/c17-14-7-4-8-15-13(14)9-10-19(15)16(20)18-11-12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,20)
InChIKeyPJZBDDMFHRRQJU-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.54
Rot. Bonds2

About 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide

4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide (PubChem CID 107653024) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
PubChem CID107653024
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide
SMILESNc1cccc2c1CCN2C(=O)NCc1ccccc1
InChIInChI=1S/C16H17N3O/c17-14-7-4-8-15-13(14)9-10-19(15)16(20)18-11-12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,20)
InChIKeyPJZBDDMFHRRQJU-UHFFFAOYSA-N
XLogP2.54
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 154782506
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
N-benzyl-5-fluoro-2,3-dihydroindole-1-carboxamide
CID 110747443
(4-amino-2,3-dihydroindol-1-yl)-(azepan-1-yl)methanone
CID 79152622
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
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N-benzyl-4-[2-(dimethylamino)ethyl]-2,3-dihydroquinoxaline-1-carboxamide
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N-benzyl-6-(dimethylamino)-4-oxo-2,3-dihydro-1,5-naphthyridine-1-carboxamide
CID 18000214
N-benzylazonane-1-carboxamide
CID 130689649
4-[[(5,6-dimethyl-2,3-dihydroindole-1-carbonyl)amino]methyl]benzoic acid
CID 122020416
N-benzyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 110748689
N-benzyl-7-nitro-3,4-dihydro-2H-quinoline-1-carboxamide
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1-methyl-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-1,5-benzodiazepine-5-carboxamide
CID 91911956

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide (CID 107653024) is 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide is Nc1cccc2c1CCN2C(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is PJZBDDMFHRRQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-14-7-4-8-15-13(14)9-10-19(15)16(20)18-11-12-5-2-1-3-6-12/h1-8H,9-11,17H2,(H,18,20).
What are the key properties of 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide?
4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 107653024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).