N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide

C19H20FNO2 — CID 125135936

IUPACN-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(F)c1
InChIInChI=1S/C19H20FNO2/c1-2-21(18-8-4-7-17(20)12-18)19(22)15-6-3-5-14(11-15)16-9-10-23-13-16/h3-8,11-12,16H,2,9-10,13H2,1H3/t16-/m0/s1
InChIKeyNNSNOBOFKASJQA-INIZCTEOSA-N
MW313.37 g/mol
LogP4.00
Rot. Bonds4

About N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide

N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide (PubChem CID 125135936) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide
PubChem CID125135936
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC NameN-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide
SMILESCCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(F)c1
InChIInChI=1S/C19H20FNO2/c1-2-21(18-8-4-7-17(20)12-18)19(22)15-6-3-5-14(11-15)16-9-10-23-13-16/h3-8,11-12,16H,2,9-10,13H2,1H3/t16-/m0/s1
InChIKeyNNSNOBOFKASJQA-INIZCTEOSA-N
XLogP4.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-oxolan-3-yl]benzoic acid
CID 97055073
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-4-fluoro-N-(3-fluorophenyl)-3-methylbenzamide
CID 63213412
3-bromo-N-ethyl-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706763
2-oxo-2-[3-(oxolan-3-yl)phenyl]acetic acid
CID 117313843
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-3-[(3S)-oxolan-3-yl]benzamide
CID 125135925
3-bromo-5-chloro-N-ethyl-N-(3-fluorophenyl)benzamide
CID 107952279
3-(3-fluoro-N-(3-fluorobenzoyl)anilino)propanoic acid
CID 82321619
N-ethyl-N-(3-fluorophenyl)-1H-indazole-6-carboxamide
CID 62905806
1-[3-(oxolan-3-yl)phenyl]propan-2-one
CID 83832521
2-methyl-2-[3-(oxolan-3-yl)phenyl]propanoic acid
CID 84796946
N-ethyl-N-(3-fluorophenyl)pyrrolidine-3-carboxamide
CID 55149318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide?
The IUPAC name of N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide (CID 125135936) is N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide.
What is the SMILES notation for N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide?
The canonical SMILES for N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide is CCN(C(=O)c1cccc([C@H]2CCOC2)c1)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide?
The InChIKey is NNSNOBOFKASJQA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-2-21(18-8-4-7-17(20)12-18)19(22)15-6-3-5-14(11-15)16-9-10-23-13-16/h3-8,11-12,16H,2,9-10,13H2,1H3/t16-/m0/s1.
What are the key properties of N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide?
N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide has a molecular weight of 313.37 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-fluorophenyl)-3-[(3R)-oxolan-3-yl]benzamide is sourced from PubChem (CID 125135936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).