2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide

C16H17N3O — CID 79741931

IUPAC2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
SMILESNC(=O)c1ccccc1NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H17N3O/c17-11-6-7-12-10(9-11)5-8-15(12)19-14-4-2-1-3-13(14)16(18)20/h1-4,6-7,9,15,19H,5,8,17H2,(H2,18,20)
InChIKeyCLCMZGRXBBREBH-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.47
Rot. Bonds3

About 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide

2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide (PubChem CID 79741931) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide.

Molecular Properties

Compound Name2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
PubChem CID79741931
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide
SMILESNC(=O)c1ccccc1NC1CCc2cc(N)ccc21
InChIInChI=1S/C16H17N3O/c17-11-6-7-12-10(9-11)5-8-15(12)19-14-4-2-1-3-13(14)16(18)20/h1-4,6-7,9,15,19H,5,8,17H2,(H2,18,20)
InChIKeyCLCMZGRXBBREBH-UHFFFAOYSA-N
XLogP2.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79735267
1-N-(2-methyl-3-pyridinyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79740883
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
1-N-[2-(2-methoxyethyl)phenyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 102903875
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]pyridine-3-carboxamide
CID 133468614
1-N-quinolin-2-yl-2,3-dihydro-1H-indene-1,5-diamine
CID 79723678
2-(cyclopropylamino)benzamide
CID 119089293
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
4-fluoro-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzamide
CID 116530881
3-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43202872

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The IUPAC name of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide (CID 79741931) is 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide.
What is the SMILES notation for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The canonical SMILES for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide is NC(=O)c1ccccc1NC1CCc2cc(N)ccc21.
What is the InChIKey of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
The InChIKey is CLCMZGRXBBREBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-11-6-7-12-10(9-11)5-8-15(12)19-14-4-2-1-3-13(14)16(18)20/h1-4,6-7,9,15,19H,5,8,17H2,(H2,18,20).
What are the key properties of 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide?
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide has a molecular weight of 267.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]benzamide is sourced from PubChem (CID 79741931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).