N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane

C13H20FNO — CID 142548394

IUPACN-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
SMILESC.CCN(C(=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C12H16FNO.CH4/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4H2,1-3H3;1H4
InChIKeyVAJNOBDEZIASJZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.33
Rot. Bonds3

About N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane

N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane (PubChem CID 142548394) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane.

Molecular Properties

Compound NameN-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
PubChem CID142548394
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
SMILESC.CCN(C(=O)c1cccc(F)c1)C(C)C
InChIInChI=1S/C12H16FNO.CH4/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4H2,1-3H3;1H4
InChIKeyVAJNOBDEZIASJZ-UHFFFAOYSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[ethyl-(3-fluorobenzoyl)amino]butanoic acid
CID 62821196
N-(3-bromopropyl)-3-fluoro-N-propan-2-ylbenzamide
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CID 119705659
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
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N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 42816411
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807
[3-[[[(2S)-butan-2-yl]-(3-fluorobenzoyl)amino]methyl]phenyl] ethanesulfonate
CID 7249945
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-ethyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 51959885
N-ethyl-3-fluoro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]benzamide
CID 42715400
N-ethyl-3-hydroxy-4-iodo-N-propan-2-ylbenzamide
CID 104627791

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane?
The IUPAC name of N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane (CID 142548394) is N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane.
What is the SMILES notation for N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane?
The canonical SMILES for N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane is C.CCN(C(=O)c1cccc(F)c1)C(C)C.
What is the InChIKey of N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane?
The InChIKey is VAJNOBDEZIASJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.CH4/c1-4-14(9(2)3)12(15)10-6-5-7-11(13)8-10;/h5-9H,4H2,1-3H3;1H4.
What are the key properties of N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane?
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane has a molecular weight of 225.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane is sourced from PubChem (CID 142548394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).