3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide

C15H20F2N2O2 — CID 82729062

IUPAC3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC2CCOC2C)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-5-18-14-11(16)7-10(8-12(14)17)15(20)19-13-4-6-21-9(13)2/h7-9,13,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyBKSQYXKVFZDCNP-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.69
Rot. Bonds5

About 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide

3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide (PubChem CID 82729062) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
PubChem CID82729062
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide
SMILESCCCNc1c(F)cc(C(=O)NC2CCOC2C)cc1F
InChIInChI=1S/C15H20F2N2O2/c1-3-5-18-14-11(16)7-10(8-12(14)17)15(20)19-13-4-6-21-9(13)2/h7-9,13,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyBKSQYXKVFZDCNP-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The IUPAC name of 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide (CID 82729062) is 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The canonical SMILES for 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide is CCCNc1c(F)cc(C(=O)NC2CCOC2C)cc1F.
What is the InChIKey of 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
The InChIKey is BKSQYXKVFZDCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-3-5-18-14-11(16)7-10(8-12(14)17)15(20)19-13-4-6-21-9(13)2/h7-9,13,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide?
3,5-difluoro-N-(2-methyloxolan-3-yl)-4-(propylamino)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.69, 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-(2-methyloxolan-3-yl)-4-(propylamino)benzamide is sourced from PubChem (CID 82729062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).