2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone

C18H25FN2O2 — CID 94394222

IUPAC2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)N1CCCC1
InChIInChI=1S/C18H25FN2O2/c19-16-6-3-5-15(11-16)12-20(13-17-7-4-10-23-17)14-18(22)21-8-1-2-9-21/h3,5-6,11,17H,1-2,4,7-10,12-14H2/t17-/m1/s1
InChIKeyHNMWDPRWCRFMLQ-QGZVFWFLSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds6

About 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone

2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 94394222) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID94394222
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)N1CCCC1
InChIInChI=1S/C18H25FN2O2/c19-16-6-3-5-15(11-16)12-20(13-17-7-4-10-23-17)14-18(22)21-8-1-2-9-21/h3,5-6,11,17H,1-2,4,7-10,12-14H2/t17-/m1/s1
InChIKeyHNMWDPRWCRFMLQ-QGZVFWFLSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 94394221
N-(cyclopentylcarbamoyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 49309235
2-[1,2-oxazol-5-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 95903622
2-[benzyl(oxolan-2-ylmethyl)amino]-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 60570632
3-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-N,N-dimethylbenzamide
CID 49435339
N-(2-chloro-4-fluorophenyl)-2-[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]acetamide
CID 60606738
2-[(6-chloro-3-pyridinyl)methyl-(oxolan-2-ylmethyl)amino]-1-pyrrolidin-1-ylethanone
CID 71988605
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-phenylethanamine
CID 60514059
2-[1H-indol-4-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone
CID 97160116
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
3-[(3-fluorophenyl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]-N-(methylcarbamoyl)propanamide
CID 94477534
5-[[(3-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-2-methoxyphenol
CID 43818526

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone (CID 94394222) is 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is O=C(CN(Cc1cccc(F)c1)C[C@H]1CCCO1)N1CCCC1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HNMWDPRWCRFMLQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-16-6-3-5-15(11-16)12-20(13-17-7-4-10-23-17)14-18(22)21-8-1-2-9-21/h3,5-6,11,17H,1-2,4,7-10,12-14H2/t17-/m1/s1.
What are the key properties of 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 320.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 94394222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).