3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide

C17H24FNO3 — CID 110310309

IUPAC3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C17H24FNO3/c1-13(10-14-2-4-15(18)5-3-14)16(21)19-11-17(12-20)6-8-22-9-7-17/h2-5,13,20H,6-12H2,1H3,(H,19,21)
InChIKeyDLRHXJNICJTELI-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.91
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide

3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide (PubChem CID 110310309) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
PubChem CID110310309
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
SMILESCC(Cc1ccc(F)cc1)C(=O)NCC1(CO)CCOCC1
InChIInChI=1S/C17H24FNO3/c1-13(10-14-2-4-15(18)5-3-14)16(21)19-11-17(12-20)6-8-22-9-7-17/h2-5,13,20H,6-12H2,1H3,(H,19,21)
InChIKeyDLRHXJNICJTELI-UHFFFAOYSA-N
XLogP1.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
CID 110310259
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
3-(4-chlorophenyl)-N-[[3-(hydroxymethyl)oxetan-3-yl]methyl]-2-methylpropanamide
CID 109480246
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
1-[1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619079
2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
CID 166245308
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
1-[[4-(dimethylamino)oxan-4-yl]methyl]-3-[(2S)-1-(4-fluorophenyl)propan-2-yl]urea
CID 95768873
1-[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 95969362
3-(4-fluorophenyl)-2-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]propanamide
CID 110305497
3-(3-chlorophenyl)-N-[[3-(2-hydroxyethyl)oxolan-3-yl]methyl]-2-methylpropanamide
CID 109478662
3-(4-fluorophenyl)-2-methyl-N-(2-methylsulfonylethyl)propanamide
CID 110357206

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide (CID 110310309) is 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide is CC(Cc1ccc(F)cc1)C(=O)NCC1(CO)CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide?
The InChIKey is DLRHXJNICJTELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-13(10-14-2-4-15(18)5-3-14)16(21)19-11-17(12-20)6-8-22-9-7-17/h2-5,13,20H,6-12H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide?
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide has a molecular weight of 309.38 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 110310309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).