4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide

C19H21F2NO4S — CID 55584493

IUPAC4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H21F2NO4S/c1-13(2)26-12-16-6-4-3-5-15(16)11-22-18(23)14-7-9-17(10-8-14)27(24,25)19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,22,23)
InChIKeyQREUUYWXWJUXST-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.54
Rot. Bonds8

About 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide

4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide (PubChem CID 55584493) has the molecular formula C19H21F2NO4S and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
PubChem CID55584493
Molecular FormulaC19H21F2NO4S
Molecular Weight397.44 g/mol
Exact Mass397.12
IUPAC Name4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide
SMILESCC(C)OCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C19H21F2NO4S/c1-13(2)26-12-16-6-4-3-5-15(16)11-22-18(23)14-7-9-17(10-8-14)27(24,25)19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,22,23)
InChIKeyQREUUYWXWJUXST-UHFFFAOYSA-N
XLogP3.54
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 55694979
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CID 8511792
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-4-propan-2-ylsulfonylbenzamide
CID 55798141
4-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
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CID 86821736
4-(difluoromethylsulfonyl)-N-(3-methylbutan-2-yl)benzamide
CID 51153952
4-(difluoromethylsulfonyl)-N-(3-phenylprop-2-ynyl)benzamide
CID 51326569
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
4-(difluoromethylsulfonyl)benzohydrazide
CID 703325
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CID 26887031
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide (CID 55584493) is 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide is CC(C)OCc1ccccc1CNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
The InChIKey is QREUUYWXWJUXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO4S/c1-13(2)26-12-16-6-4-3-5-15(16)11-22-18(23)14-7-9-17(10-8-14)27(24,25)19(20)21/h3-10,13,19H,11-12H2,1-2H3,(H,22,23).
What are the key properties of 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide?
4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide has a molecular weight of 397.44 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfonyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55584493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).