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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Related Compounds

3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
3-amino-5-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726425
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
N-(2-methyloxolan-3-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641948
3,5-difluoro-N-morpholin-4-yl-4-(propylamino)benzamide
CID 83016710
3-bromo-5-methyl-N-[(2R,3R)-2-methyloxolan-3-yl]benzamide
CID 99606496
3-amino-5-methoxy-N-(2-methyloxolan-3-yl)benzamide
CID 82725612
2-fluoro-5-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726276
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
5-bromo-N-(2-methyloxolan-3-yl)furan-3-carboxamide
CID 130703611

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).