5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide

C15H14FN3O2 — CID 167641897

IUPAC5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide
SMILESC=C1CCC(N(C)C(=O)c2cc(C#N)ccc2F)C(=O)N1
InChIInChI=1S/C15H14FN3O2/c1-9-3-6-13(14(20)18-9)19(2)15(21)11-7-10(8-17)4-5-12(11)16/h4-5,7,13H,1,3,6H2,2H3,(H,18,20)
InChIKeyHATBBSKIDROZKP-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.56
Rot. Bonds2

About 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide

5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide (PubChem CID 167641897) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide.

Molecular Properties

Compound Name5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide
PubChem CID167641897
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide
SMILESC=C1CCC(N(C)C(=O)c2cc(C#N)ccc2F)C(=O)N1
InChIInChI=1S/C15H14FN3O2/c1-9-3-6-13(14(20)18-9)19(2)15(21)11-7-10(8-17)4-5-12(11)16/h4-5,7,13H,1,3,6H2,2H3,(H,18,20)
InChIKeyHATBBSKIDROZKP-UHFFFAOYSA-N
XLogP1.56
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120708
5-cyano-2-fluorobenzamide;hydrochloride
CID 165153570
4-fluoro-3-(8-methyl-8-azabicyclo[3.2.1]octane-3-carbonyl)benzonitrile
CID 171946734
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 167091351
5-cyano-2-fluoro-N-propan-2-ylbenzamide
CID 83405153
3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octane-3-carbonyl)-4-fluorobenzonitrile
CID 171946742
4-fluoro-3-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carbonyl)benzonitrile
CID 171946753
3-benzoyl-4-fluorobenzonitrile
CID 83393087
(2S)-N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 61164507
N-[(5-cyano-2-fluorophenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 60945392

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide?
The IUPAC name of 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide (CID 167641897) is 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide.
What is the SMILES notation for 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide?
The canonical SMILES for 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide is C=C1CCC(N(C)C(=O)c2cc(C#N)ccc2F)C(=O)N1.
What is the InChIKey of 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide?
The InChIKey is HATBBSKIDROZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-9-3-6-13(14(20)18-9)19(2)15(21)11-7-10(8-17)4-5-12(11)16/h4-5,7,13H,1,3,6H2,2H3,(H,18,20).
What are the key properties of 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide?
5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide has a molecular weight of 287.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-fluoro-N-methyl-N-(6-methylidene-2-oxopiperidin-3-yl)benzamide is sourced from PubChem (CID 167641897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).