4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide

C16H15FN2O — CID 63188020

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)cc1F
InChIInChI=1S/C16H15FN2O/c17-13-9-11(5-7-14(13)18)16(20)19-15-8-6-10-3-1-2-4-12(10)15/h1-5,7,9,15H,6,8,18H2,(H,19,20)
InChIKeyMRIMTLXOKMVTGT-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.83
Rot. Bonds2

About 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide (PubChem CID 63188020) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide
PubChem CID63188020
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)cc1F
InChIInChI=1S/C16H15FN2O/c17-13-9-11(5-7-14(13)18)16(20)19-15-8-6-10-3-1-2-4-12(10)15/h1-5,7,9,15H,6,8,18H2,(H,19,20)
InChIKeyMRIMTLXOKMVTGT-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide (CID 63188020) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide is Nc1ccc(C(=O)NC2CCc3ccccc32)cc1F.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide?
The InChIKey is MRIMTLXOKMVTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-13-9-11(5-7-14(13)18)16(20)19-15-8-6-10-3-1-2-4-12(10)15/h1-5,7,9,15H,6,8,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide has a molecular weight of 270.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-fluorobenzamide is sourced from PubChem (CID 63188020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).