4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide

C13H18FNO2 — CID 115746037

IUPAC4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H18FNO2/c1-9-7-10(14)5-6-11(9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3
InChIKeyOHSMMIINMGFPSP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.98
Rot. Bonds3

About 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide

4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide (PubChem CID 115746037) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
PubChem CID115746037
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C13H18FNO2/c1-9-7-10(14)5-6-11(9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3
InChIKeyOHSMMIINMGFPSP-UHFFFAOYSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79290471
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
CID 111976989
5-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1-benzofuran-2-carboxamide
CID 111694876
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide (CID 115746037) is 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide?
The InChIKey is OHSMMIINMGFPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-7-10(14)5-6-11(9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide?
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide has a molecular weight of 239.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 115746037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).