N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide

C15H21FN2O2 — CID 9223762

IUPACN-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN2O2/c1-18(10-14-7-2-3-8-20-14)11-15(19)17-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJHSUGSZQXALZOK-AWEZNQCLSA-N
MW280.34 g/mol
LogP2.27
Rot. Bonds5

About N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide

N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide (PubChem CID 9223762) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
PubChem CID9223762
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C[C@@H]1CCCCO1
InChIInChI=1S/C15H21FN2O2/c1-18(10-14-7-2-3-8-20-14)11-15(19)17-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)/t14-/m0/s1
InChIKeyJHSUGSZQXALZOK-AWEZNQCLSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 78722797
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
3-[bis[[(2R)-oxolan-2-yl]methyl]amino]-N-(3-fluorophenyl)propanamide
CID 51952632
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41022421
3-(3-acetylphenyl)-1-methyl-1-(oxan-2-ylmethyl)urea
CID 61174521
1-(4-fluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]ethanone
CID 61432503
N-(4-methyl-3-nitrophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 51108261
2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetic acid
CID 14802232
2-[methyl(oxan-2-ylmethyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 86825120
N-(2-bromo-4-methylphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825232
3-[bis(oxolan-2-ylmethyl)carbamoylamino]-N-(3-fluorophenyl)benzamide
CID 47051038

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide (CID 9223762) is N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide is CN(CC(=O)Nc1cccc(F)c1)C[C@@H]1CCCCO1.
What is the InChIKey of N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide?
The InChIKey is JHSUGSZQXALZOK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(10-14-7-2-3-8-20-14)11-15(19)17-13-6-4-5-12(16)9-13/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,17,19)/t14-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide?
N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide has a molecular weight of 280.34 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 9223762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).