4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C16H23FN2O2 — CID 97239773

IUPAC4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-4-19(10-12-7-8-21-11-12)16(20)14-6-5-13(18(2)3)9-15(14)17/h5-6,9,12H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZIHDVOMTHDOHAT-LBPRGKRZSA-N
MW294.37 g/mol
LogP2.39
Rot. Bonds5

About 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide

4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 97239773) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID97239773
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCCN(C[C@@H]1CCOC1)C(=O)c1ccc(N(C)C)cc1F
InChIInChI=1S/C16H23FN2O2/c1-4-19(10-12-7-8-21-11-12)16(20)14-6-5-13(18(2)3)9-15(14)17/h5-6,9,12H,4,7-8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyZIHDVOMTHDOHAT-LBPRGKRZSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-ethyl-4-fluoro-N-(oxolan-3-ylmethyl)benzamide
CID 103707104
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 61114252
2-(dimethylamino)-N-ethyl-5-nitro-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 94806475
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
4-(dimethylsulfamoyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 94805874
3-amino-N-ethyl-4-methoxy-N-(oxolan-3-ylmethyl)benzamide
CID 61115387
3-bromo-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 104852419
4-(dimethylamino)-2-fluoro-N,N-dimethylbenzamide
CID 126768746
N-ethyl-7-methoxy-2-methyl-N-[[(3S)-oxolan-3-yl]methyl]quinoline-3-carboxamide
CID 94799893

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 97239773) is 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide is CCN(C[C@@H]1CCOC1)C(=O)c1ccc(N(C)C)cc1F.
What is the InChIKey of 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is ZIHDVOMTHDOHAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-4-19(10-12-7-8-21-11-12)16(20)14-6-5-13(18(2)3)9-15(14)17/h5-6,9,12H,4,7-8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 294.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-ethyl-2-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 97239773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).