3-fluoro-N-(2-methylquinolin-6-yl)benzamide

C17H13FN2O — CID 736479

IUPAC3-fluoro-N-(2-methylquinolin-6-yl)benzamide
SMILESCc1ccc2cc(NC(=O)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C17H13FN2O/c1-11-5-6-12-10-15(7-8-16(12)19-11)20-17(21)13-3-2-4-14(18)9-13/h2-10H,1H3,(H,20,21)
InChIKeyDTHUVVNJGCENDO-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.93
Rot. Bonds2

About 3-fluoro-N-(2-methylquinolin-6-yl)benzamide

3-fluoro-N-(2-methylquinolin-6-yl)benzamide (PubChem CID 736479) has the molecular formula C17H13FN2O and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylquinolin-6-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylquinolin-6-yl)benzamide
PubChem CID736479
Molecular FormulaC17H13FN2O
Molecular Weight280.30 g/mol
Exact Mass280.10
IUPAC Name3-fluoro-N-(2-methylquinolin-6-yl)benzamide
SMILESCc1ccc2cc(NC(=O)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C17H13FN2O/c1-11-5-6-12-10-15(7-8-16(12)19-11)20-17(21)13-3-2-4-14(18)9-13/h2-10H,1H3,(H,20,21)
InChIKeyDTHUVVNJGCENDO-UHFFFAOYSA-N
XLogP3.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylquinolin-6-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methylquinolin-6-yl)benzamide (CID 736479) is 3-fluoro-N-(2-methylquinolin-6-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methylquinolin-6-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methylquinolin-6-yl)benzamide is Cc1ccc2cc(NC(=O)c3cccc(F)c3)ccc2n1.
What is the InChIKey of 3-fluoro-N-(2-methylquinolin-6-yl)benzamide?
The InChIKey is DTHUVVNJGCENDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O/c1-11-5-6-12-10-15(7-8-16(12)19-11)20-17(21)13-3-2-4-14(18)9-13/h2-10H,1H3,(H,20,21).
What are the key properties of 3-fluoro-N-(2-methylquinolin-6-yl)benzamide?
3-fluoro-N-(2-methylquinolin-6-yl)benzamide has a molecular weight of 280.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylquinolin-6-yl)benzamide is sourced from PubChem (CID 736479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).