3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide

C15H20F2N2O2 — CID 63362445

IUPAC3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC2CCCOC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-2-5-18-14-12(16)7-10(8-13(14)17)15(20)19-11-4-3-6-21-9-11/h7-8,11,18H,2-6,9H2,1H3,(H,19,20)
InChIKeyQAFKLVYDFARXOA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.70
Rot. Bonds5

About 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide

3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide (PubChem CID 63362445) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
PubChem CID63362445
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC2CCCOC2)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-2-5-18-14-12(16)7-10(8-13(14)17)15(20)19-11-4-3-6-21-9-11/h7-8,11,18H,2-6,9H2,1H3,(H,19,20)
InChIKeyQAFKLVYDFARXOA-UHFFFAOYSA-N
XLogP2.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
CID 82729062
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
4-fluoro-N-(oxan-3-yl)-3-sulfamoylbenzamide
CID 63613936
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
N-cycloheptyl-3,5-difluoro-4-(methylamino)benzamide
CID 63187586
3-fluoro-N-(oxolan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 105386978
4-bromo-3-fluoro-N-(oxolan-3-yl)-5-sulfamoylbenzamide
CID 80716129
2-(ethylamino)-6-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 113379136

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide (CID 63362445) is 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NC2CCCOC2)cc1F.
What is the InChIKey of 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide?
The InChIKey is QAFKLVYDFARXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-2-5-18-14-12(16)7-10(8-13(14)17)15(20)19-11-4-3-6-21-9-11/h7-8,11,18H,2-6,9H2,1H3,(H,19,20).
What are the key properties of 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide?
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 63362445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).