N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide

C13H16FNO — CID 115745905

IUPACN-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCC1
InChIInChI=1S/C13H16FNO/c1-9-8-10(14)6-7-12(9)13(16)15(2)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyFFPPMVVCYGGVNR-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.76
Rot. Bonds2

About N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide

N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide (PubChem CID 115745905) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
PubChem CID115745905
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC NameN-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C1CCC1
InChIInChI=1S/C13H16FNO/c1-9-8-10(14)6-7-12(9)13(16)15(2)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3
InChIKeyFFPPMVVCYGGVNR-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
4-fluoro-N,2-dimethyl-N-(3-methylcyclohexyl)benzamide
CID 112702414
4-fluoro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzamide
CID 102631843
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N,2-dimethylbenzamide
CID 134704150
3-[(4-fluoro-2-methylbenzoyl)-methylamino]cyclobutane-1-carboxylic acid
CID 154763620
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
CID 62072600
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide?
The IUPAC name of N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide (CID 115745905) is N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)C1CCC1.
What is the InChIKey of N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide?
The InChIKey is FFPPMVVCYGGVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9-8-10(14)6-7-12(9)13(16)15(2)11-4-3-5-11/h6-8,11H,3-5H2,1-2H3.
What are the key properties of N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide?
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide has a molecular weight of 221.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide is sourced from PubChem (CID 115745905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).