2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride

C24H21F4NO — CID 158571048

IUPAC2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride
SMILESCC(F)(F)c1ccc(-c2cc(F)ccc2C(=O)Nc2ccc3c(c2)CCC3)cc1.F
InChIInChI=1S/C24H20F3NO.FH/c1-24(26,27)18-8-5-16(6-9-18)22-14-19(25)10-12-21(22)23(29)28-20-11-7-15-3-2-4-17(15)13-20;/h5-14H,2-4H2,1H3,(H,28,29);1H
InChIKeyHSBUUNCLNRKEJC-UHFFFAOYSA-N
MW415.43 g/mol
LogP6.50
Rot. Bonds4

About 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride

2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride (PubChem CID 158571048) has the molecular formula C24H21F4NO and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride.

Molecular Properties

Compound Name2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride
PubChem CID158571048
Molecular FormulaC24H21F4NO
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC Name2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride
SMILESCC(F)(F)c1ccc(-c2cc(F)ccc2C(=O)Nc2ccc3c(c2)CCC3)cc1.F
InChIInChI=1S/C24H20F3NO.FH/c1-24(26,27)18-8-5-16(6-9-18)22-14-19(25)10-12-21(22)23(29)28-20-11-7-15-3-2-4-17(15)13-20;/h5-14H,2-4H2,1H3,(H,28,29);1H
InChIKeyHSBUUNCLNRKEJC-UHFFFAOYSA-N
XLogP6.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.43
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride?
The IUPAC name of 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride (CID 158571048) is 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride.
What is the SMILES notation for 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride?
The canonical SMILES for 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride is CC(F)(F)c1ccc(-c2cc(F)ccc2C(=O)Nc2ccc3c(c2)CCC3)cc1.F.
What is the InChIKey of 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride?
The InChIKey is HSBUUNCLNRKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO.FH/c1-24(26,27)18-8-5-16(6-9-18)22-14-19(25)10-12-21(22)23(29)28-20-11-7-15-3-2-4-17(15)13-20;/h5-14H,2-4H2,1H3,(H,28,29);1H.
What are the key properties of 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride?
2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride has a molecular weight of 415.43 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1-difluoroethyl)phenyl]-N-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzamide;hydrofluoride is sourced from PubChem (CID 158571048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).