N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide

C13H18FNO2 — CID 65111998

IUPACN-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-13(17,4-2)9-15-12(16)10-6-5-7-11(14)8-10/h5-8,17H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySIMHQVKQLQSUAM-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.11
Rot. Bonds5

About N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide

N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide (PubChem CID 65111998) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
PubChem CID65111998
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(F)c1
InChIInChI=1S/C13H18FNO2/c1-3-13(17,4-2)9-15-12(16)10-6-5-7-11(14)8-10/h5-8,17H,3-4,9H2,1-2H3,(H,15,16)
InChIKeySIMHQVKQLQSUAM-UHFFFAOYSA-N
XLogP2.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
3-fluoro-N-[3-[(3-fluorobenzoyl)amino]-2,2-dimethylpropyl]benzamide
CID 2168496
3-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 90500919
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
CID 65113690
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
CID 65108644
N-(2-ethyl-2-hydroxybutyl)-1-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 111483353
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-[4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-3-fluorobenzamide
CID 3612255
N-[2-(ethylamino)-2-oxoethyl]-3-fluorobenzamide
CID 60636583
N-(3,3-dimethyl-2-oxobutyl)-3-fluorobenzamide
CID 64991573
2-bromo-N-(2-ethyl-2-hydroxybutyl)-6-fluorobenzamide
CID 111780819

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide (CID 65111998) is N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide is CCC(O)(CC)CNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide?
The InChIKey is SIMHQVKQLQSUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-13(17,4-2)9-15-12(16)10-6-5-7-11(14)8-10/h5-8,17H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide?
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide has a molecular weight of 239.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide is sourced from PubChem (CID 65111998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).