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

C16H23FN2O2 — CID 95159511

IUPACN-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-18(2)9-10-19(12-13-6-5-11-21-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyQUVFLOPMPLPFDF-ZDUSSCGKSA-N
MW294.37 g/mol
LogP2.01
Rot. Bonds6

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

N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 95159511) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID95159511
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O2/c1-18(2)9-10-19(12-13-6-5-11-21-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m0/s1
InChIKeyQUVFLOPMPLPFDF-ZDUSSCGKSA-N
XLogP2.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 19118894
N-[2-(dimethylamino)ethyl]-2-fluoro-4-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95334225
2-fluoro-N-[(4-fluorophenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 51895882
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
2-amino-N-ethyl-3-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 62660157
N-[2-[[ethyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]amino]ethyl]-2-fluorobenzamide
CID 95762744
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-(oxolan-2-ylmethyl)benzamide
CID 71980640
N-[2-(dimethylamino)ethyl]-2,4-difluoro-6-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 96570042
N-ethyl-3-fluoro-2-(methylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 62660158
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
2-chloro-N-[(2-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19120008

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 95159511) is N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccccc1F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is QUVFLOPMPLPFDF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-18(2)9-10-19(12-13-6-5-11-21-13)16(20)14-7-3-4-8-15(14)17/h3-4,7-8,13H,5-6,9-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 294.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 95159511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).