N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide

C19H21F2NO2 — CID 24848458

IUPACN-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
SMILESCCOc1cc(C(C)(C)C)ccc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H21F2NO2/c1-5-24-16-11-12(19(2,3)4)9-10-15(16)22-18(23)17-13(20)7-6-8-14(17)21/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyBYUBYQBNINRDFT-UHFFFAOYSA-N
MW333.38 g/mol
LogP4.91
Rot. Bonds4

About N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide

N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide (PubChem CID 24848458) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
PubChem CID24848458
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC NameN-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide
SMILESCCOc1cc(C(C)(C)C)ccc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H21F2NO2/c1-5-24-16-11-12(19(2,3)4)9-10-15(16)22-18(23)17-13(20)7-6-8-14(17)21/h6-11H,5H2,1-4H3,(H,22,23)
InChIKeyBYUBYQBNINRDFT-UHFFFAOYSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide?
The IUPAC name of N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide (CID 24848458) is N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide.
What is the SMILES notation for N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide?
The canonical SMILES for N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide is CCOc1cc(C(C)(C)C)ccc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide?
The InChIKey is BYUBYQBNINRDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-5-24-16-11-12(19(2,3)4)9-10-15(16)22-18(23)17-13(20)7-6-8-14(17)21/h6-11H,5H2,1-4H3,(H,22,23).
What are the key properties of N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide?
N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide has a molecular weight of 333.38 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-ethoxyphenyl)-2,6-difluorobenzamide is sourced from PubChem (CID 24848458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).