N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide

C16H23FN2O2 — CID 95628532

IUPACN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCN(C)Cc1cc(CNC(=O)C[C@@H]2CCCO2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-19(2)11-13-8-12(5-6-15(13)17)10-18-16(20)9-14-4-3-7-21-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyVIWOHHXVUYRTLC-AWEZNQCLSA-N
MW294.37 g/mol
LogP2.07
Rot. Bonds6

About N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide

N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide (PubChem CID 95628532) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
PubChem CID95628532
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
SMILESCN(C)Cc1cc(CNC(=O)C[C@@H]2CCCO2)ccc1F
InChIInChI=1S/C16H23FN2O2/c1-19(2)11-13-8-12(5-6-15(13)17)10-18-16(20)9-14-4-3-7-21-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyVIWOHHXVUYRTLC-AWEZNQCLSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614536
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 102557321
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 95620382
2-(4-aminophenyl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 119886328
N-[[3-(methylsulfanylmethyl)phenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 99828041
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(oxan-2-yl)acetamide
CID 110625410
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 94029080
3-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]butanamide;dihydrochloride
CID 119886373
N-[(3-cyanophenyl)methyl]-2-(oxolan-2-yl)acetamide
CID 60769167
1-amino-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886313
3-[4-[[[2-(oxolan-2-yl)acetyl]amino]methyl]phenyl]prop-2-enoic acid
CID 77057744
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The IUPAC name of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide (CID 95628532) is N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide.
What is the SMILES notation for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The canonical SMILES for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide is CN(C)Cc1cc(CNC(=O)C[C@@H]2CCCO2)ccc1F.
What is the InChIKey of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
The InChIKey is VIWOHHXVUYRTLC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-19(2)11-13-8-12(5-6-15(13)17)10-18-16(20)9-14-4-3-7-21-14/h5-6,8,14H,3-4,7,9-11H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide?
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide has a molecular weight of 294.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-[(2S)-oxolan-2-yl]acetamide is sourced from PubChem (CID 95628532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).