N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide

C14H20FNO2 — CID 79381420

IUPACN-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13(17)11-8-10(2)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3
InChIKeyMQQKAYITZWHVKG-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds4

About N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide

N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide (PubChem CID 79381420) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
PubChem CID79381420
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(C)ccc1F
InChIInChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13(17)11-8-10(2)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3
InChIKeyMQQKAYITZWHVKG-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
N-ethyl-2-fluoro-N-(2-methoxyethyl)-5-methylbenzamide
CID 62512852
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
5-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79376979
N-(3-amino-2,2-dimethylpropyl)-2-fluoro-5-methyl-N-propylbenzamide
CID 79667349
N-(2-aminoethyl)-2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493456
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384161
2-(dimethylamino)-1-(2-fluoro-5-methylphenyl)-2-methylbutan-1-one
CID 79052290
N,N-diethyl-2,5-dimethylbenzamide
CID 15621070
5-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 79377238

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide?
The IUPAC name of N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide (CID 79381420) is N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide?
The canonical SMILES for N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide is CCN(CC(C)(C)O)C(=O)c1cc(C)ccc1F.
What is the InChIKey of N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide?
The InChIKey is MQQKAYITZWHVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-5-16(9-14(3,4)18)13(17)11-8-10(2)6-7-12(11)15/h6-8,18H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide?
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide is sourced from PubChem (CID 79381420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).