3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide

C15H20FNO2 — CID 110875753

IUPAC3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-3-4-13(9-14(11)16)15(18)17(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyVSEAFJYTMQMPNR-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.63
Rot. Bonds3

About 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide

3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide (PubChem CID 110875753) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
PubChem CID110875753
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCOCC2)cc1F
InChIInChI=1S/C15H20FNO2/c1-11-3-4-13(9-14(11)16)15(18)17(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3
InChIKeyVSEAFJYTMQMPNR-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide (CID 110875753) is 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide is Cc1ccc(C(=O)N(C)CC2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is VSEAFJYTMQMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-3-4-13(9-14(11)16)15(18)17(2)10-12-5-7-19-8-6-12/h3-4,9,12H,5-8,10H2,1-2H3.
What are the key properties of 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide?
3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 265.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 110875753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).