N-cyclobutyl-2-fluoro-3-methylbenzamide

C12H14FNO — CID 80712137

IUPACN-cyclobutyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC2)c1F
InChIInChI=1S/C12H14FNO/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15)
InChIKeyUDJAPJJGPUKXQK-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.42
Rot. Bonds2

About N-cyclobutyl-2-fluoro-3-methylbenzamide

N-cyclobutyl-2-fluoro-3-methylbenzamide (PubChem CID 80712137) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is N-cyclobutyl-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-2-fluoro-3-methylbenzamide
PubChem CID80712137
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC NameN-cyclobutyl-2-fluoro-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2CCC2)c1F
InChIInChI=1S/C12H14FNO/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15)
InChIKeyUDJAPJJGPUKXQK-UHFFFAOYSA-N
XLogP2.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81459818
N-cyclobutyl-2-hydroxy-3-methylbenzamide
CID 62416564
2-fluoro-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 80710862
N-[4-(ethylamino)cyclohexyl]-2-fluoro-3-methylbenzamide
CID 81481989
2-amino-N-cyclobutyl-3-methylbenzamide
CID 62416482
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
N-cyclohex-3-en-1-yl-2-fluoro-3-methylbenzamide
CID 80712236
2,3-difluoro-N-(4-methylcycloheptyl)benzamide
CID 102795195
N-(2,3-dimethylcyclohexyl)-2-fluoro-3-methylbenzamide
CID 80718134
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-fluoro-3-methylbenzamide?
The IUPAC name of N-cyclobutyl-2-fluoro-3-methylbenzamide (CID 80712137) is N-cyclobutyl-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-cyclobutyl-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-cyclobutyl-2-fluoro-3-methylbenzamide is Cc1cccc(C(=O)NC2CCC2)c1F.
What is the InChIKey of N-cyclobutyl-2-fluoro-3-methylbenzamide?
The InChIKey is UDJAPJJGPUKXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-4-2-7-10(11(8)13)12(15)14-9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15).
What are the key properties of N-cyclobutyl-2-fluoro-3-methylbenzamide?
N-cyclobutyl-2-fluoro-3-methylbenzamide has a molecular weight of 207.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 80712137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).