4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide

C16H20F3NO2 — CID 138023225

IUPAC4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)F)c(F)c1)C1CCOCC1
InChIInChI=1S/C16H20F3NO2/c1-16(2,11-5-7-22-8-6-11)20-15(21)10-3-4-12(14(18)19)13(17)9-10/h3-4,9,11,14H,5-8H2,1-2H3,(H,20,21)
InChIKeyDKOAYDPESFJHEN-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.70
Rot. Bonds4

About 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide

4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide (PubChem CID 138023225) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
PubChem CID138023225
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide
SMILESCC(C)(NC(=O)c1ccc(C(F)F)c(F)c1)C1CCOCC1
InChIInChI=1S/C16H20F3NO2/c1-16(2,11-5-7-22-8-6-11)20-15(21)10-3-4-12(14(18)19)13(17)9-10/h3-4,9,11,14H,5-8H2,1-2H3,(H,20,21)
InChIKeyDKOAYDPESFJHEN-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-3-fluorobenzohydrazide
CID 178127669
4-(difluoromethyl)-3-fluoro-N-[4-(2-hydroxyethyl)oxan-4-yl]benzamide
CID 138026885
4-(difluoromethyl)-N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-3-fluorobenzamide
CID 136570579
3-bromo-1-[4-(difluoromethyl)-3-fluorophenyl]propan-1-one
CID 134625407
6-fluoro-8-methyl-N-[2-(oxan-4-yl)propan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 154799878
N-[4-[acetyl(oxan-4-yl)amino]phenyl]-3,4-difluorobenzamide
CID 113094199
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 120785624
3-fluoro-4-(oxan-4-ylsulfamoyl)benzoic acid
CID 79187362
N-(2-cyclopropylpropan-2-yl)-6-(methylamino)pyridine-3-carboxamide
CID 114112366
(3-fluoro-4-methylphenyl)-(oxan-4-yl)methanone
CID 63935252

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide?
The IUPAC name of 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide (CID 138023225) is 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide is CC(C)(NC(=O)c1ccc(C(F)F)c(F)c1)C1CCOCC1.
What is the InChIKey of 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide?
The InChIKey is DKOAYDPESFJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-16(2,11-5-7-22-8-6-11)20-15(21)10-3-4-12(14(18)19)13(17)9-10/h3-4,9,11,14H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide?
4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide has a molecular weight of 315.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3-fluoro-N-[2-(oxan-4-yl)propan-2-yl]benzamide is sourced from PubChem (CID 138023225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).