N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide

C18H21FN2O2 — CID 118779197

IUPACN-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide
SMILESCCOCC(C)(C)NC(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-4-23-12-18(2,3)21-17(22)14-7-5-6-13(10-14)15-8-9-20-11-16(15)19/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyAPSJBXWHRCGPBT-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.43
Rot. Bonds6

About N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide

N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide (PubChem CID 118779197) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide
PubChem CID118779197
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide
SMILESCCOCC(C)(C)NC(=O)c1cccc(-c2ccncc2F)c1
InChIInChI=1S/C18H21FN2O2/c1-4-23-12-18(2,3)21-17(22)14-7-5-6-13(10-14)15-8-9-20-11-16(15)19/h5-11H,4,12H2,1-3H3,(H,21,22)
InChIKeyAPSJBXWHRCGPBT-UHFFFAOYSA-N
XLogP3.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluoro-4-pyridinyl)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 118787820
3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 125166274
1-[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 102708685
3-(3-fluoro-4-pyridinyl)-N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 125156131
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980
2-(3-fluoro-4-pyridinyl)-N-propan-2-ylpyridine-4-carboxamide
CID 74244345
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
3-(5-chloro-2-fluorophenyl)-N-[(2R)-3-ethoxy-2-hydroxypropyl]benzamide
CID 126440716
N-(1-aminooxy-2-methylpropan-2-yl)-3-chlorobenzamide
CID 39347226
4-(3-acetylphenyl)pyridine-3-carboxylic acid
CID 53229293
N-(3,3-dimethylbutyl)-3-pyridin-3-ylbenzamide
CID 21361607

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide?
The IUPAC name of N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide (CID 118779197) is N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide.
What is the SMILES notation for N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide?
The canonical SMILES for N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide is CCOCC(C)(C)NC(=O)c1cccc(-c2ccncc2F)c1.
What is the InChIKey of N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide?
The InChIKey is APSJBXWHRCGPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-4-23-12-18(2,3)21-17(22)14-7-5-6-13(10-14)15-8-9-20-11-16(15)19/h5-11H,4,12H2,1-3H3,(H,21,22).
What are the key properties of N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide?
N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide has a molecular weight of 316.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-2-methylpropan-2-yl)-3-(3-fluoro-4-pyridinyl)benzamide is sourced from PubChem (CID 118779197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).