N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide

C21H25F2NO2 — CID 143402507

IUPACN-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)cc1CC(O)CCc1ccccc1F
InChIInChI=1S/C21H25F2NO2/c1-21(2,3)24-20(26)18-11-9-16(22)12-15(18)13-17(25)10-8-14-6-4-5-7-19(14)23/h4-7,9,11-12,17,25H,8,10,13H2,1-3H3,(H,24,26)
InChIKeyBPSIKBCISLZHRQ-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.03
Rot. Bonds6

About N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide

N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide (PubChem CID 143402507) has the molecular formula C21H25F2NO2 and a molecular weight of 361.43 g/mol. Its IUPAC name is N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide
PubChem CID143402507
Molecular FormulaC21H25F2NO2
Molecular Weight361.43 g/mol
Exact Mass361.19
IUPAC NameN-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide
SMILESCC(C)(C)NC(=O)c1ccc(F)cc1CC(O)CCc1ccccc1F
InChIInChI=1S/C21H25F2NO2/c1-21(2,3)24-20(26)18-11-9-16(22)12-15(18)13-17(25)10-8-14-6-4-5-7-19(14)23/h4-7,9,11-12,17,25H,8,10,13H2,1-3H3,(H,24,26)
InChIKeyBPSIKBCISLZHRQ-UHFFFAOYSA-N
XLogP4.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide?
The IUPAC name of N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide (CID 143402507) is N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide?
The canonical SMILES for N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide is CC(C)(C)NC(=O)c1ccc(F)cc1CC(O)CCc1ccccc1F.
What is the InChIKey of N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide?
The InChIKey is BPSIKBCISLZHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO2/c1-21(2,3)24-20(26)18-11-9-16(22)12-15(18)13-17(25)10-8-14-6-4-5-7-19(14)23/h4-7,9,11-12,17,25H,8,10,13H2,1-3H3,(H,24,26).
What are the key properties of N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide?
N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide has a molecular weight of 361.43 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide is sourced from PubChem (CID 143402507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).