4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide

C16H14F2N2O — CID 63187596

IUPAC4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H14F2N2O/c17-13-7-11(8-14(18)15(13)19)16(21)20-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3,19H2,(H,20,21)
InChIKeyLROYXMMYQFPVQP-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.29
Rot. Bonds2

About 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide (PubChem CID 63187596) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
PubChem CID63187596
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide
SMILESNc1c(F)cc(C(=O)Nc2ccc3c(c2)CCC3)cc1F
InChIInChI=1S/C16H14F2N2O/c17-13-7-11(8-14(18)15(13)19)16(21)20-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3,19H2,(H,20,21)
InChIKeyLROYXMMYQFPVQP-UHFFFAOYSA-N
XLogP3.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.29
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

3,5-dibromo-N-(2,3-dihydro-1H-inden-5-yl)benzamide
CID 107980005
N-(4-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17495760
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(2,3-dihydro-1H-inden-5-yl)-2,4-difluoro-6-hydroxybenzamide
CID 60598957
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
CID 8921001
N-(5-amino-2-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18071479
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
4-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)benzoic acid
CID 18876241
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
2-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide
CID 6470489

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide (CID 63187596) is 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide is Nc1c(F)cc(C(=O)Nc2ccc3c(c2)CCC3)cc1F.
What is the InChIKey of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
The InChIKey is LROYXMMYQFPVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-7-11(8-14(18)15(13)19)16(21)20-12-5-4-9-2-1-3-10(9)6-12/h4-8H,1-3,19H2,(H,20,21).
What are the key properties of 4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide?
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3,5-difluorobenzamide has a molecular weight of 288.30 g/mol, XLogP of 3.29, 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-5-yl)-3,5-difluorobenzamide is sourced from PubChem (CID 63187596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).