5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide

C12H13ClFNO — CID 115649144

IUPAC5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1F)C1CCC1
InChIInChI=1S/C12H13ClFNO/c1-15(9-3-2-4-9)12(16)10-7-8(13)5-6-11(10)14/h5-7,9H,2-4H2,1H3
InChIKeyHMEIYMLSZGHCAU-UHFFFAOYSA-N
MW241.69 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide

5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide (PubChem CID 115649144) has the molecular formula C12H13ClFNO and a molecular weight of 241.69 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
PubChem CID115649144
Molecular FormulaC12H13ClFNO
Molecular Weight241.69 g/mol
Exact Mass241.07
IUPAC Name5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1cc(Cl)ccc1F)C1CCC1
InChIInChI=1S/C12H13ClFNO/c1-15(9-3-2-4-9)12(16)10-7-8(13)5-6-11(10)14/h5-7,9H,2-4H2,1H3
InChIKeyHMEIYMLSZGHCAU-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.69
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,5-dichloro-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methylbenzamide
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5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide (CID 115649144) is 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide is CN(C(=O)c1cc(Cl)ccc1F)C1CCC1.
What is the InChIKey of 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide?
The InChIKey is HMEIYMLSZGHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO/c1-15(9-3-2-4-9)12(16)10-7-8(13)5-6-11(10)14/h5-7,9H,2-4H2,1H3.
What are the key properties of 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide?
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide has a molecular weight of 241.69 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 115649144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).