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

C16H15FN2O — CID 107793767

IUPAC4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c17-14-9-11(18)6-7-13(14)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8,18H2,(H,19,20)
InChIKeyIGFRFUHLUPXVJX-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.83
Rot. Bonds2

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

4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide (PubChem CID 107793767) 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)-2-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
PubChem CID107793767
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide
SMILESNc1ccc(C(=O)NC2CCc3ccccc32)c(F)c1
InChIInChI=1S/C16H15FN2O/c17-14-9-11(18)6-7-13(14)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8,18H2,(H,19,20)
InChIKeyIGFRFUHLUPXVJX-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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Related Compounds

4-amino-N-benzylbenzamide
CID 577832
LY 188544
CID 126157
4-Amino-N-(1-methyl-2-phenyl-ethyl)-benzamide
CID 2845137
4-amino-N-cyclohexylbenzamide
CID 679480
4-amino-N-(2-phenylethyl)benzamide
CID 847754
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 2453286
N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
CID 4134110
N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 769929
4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 977462
2-fluoro-N-[4-(1-pyrrolidinylcarbonyl)phenyl]benzamide
CID 1245328
N-(2,3-dihydro-1H-inden-5-yl)-2-fluorobenzamide
CID 2112003
N-[4-(diethylcarbamoyl)phenyl]-3-fluorobenzamide
CID 2541616

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide (CID 107793767) is 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide is Nc1ccc(C(=O)NC2CCc3ccccc32)c(F)c1.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
The InChIKey is IGFRFUHLUPXVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c17-14-9-11(18)6-7-13(14)16(20)19-15-8-5-10-3-1-2-4-12(10)15/h1-4,6-7,9,15H,5,8,18H2,(H,19,20).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-fluorobenzamide?
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-2-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)-2-fluorobenzamide is sourced from PubChem (CID 107793767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).