[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

C19H19F2NO2 — CID 118794181

IUPAC[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C19H19F2NO2/c1-24-12-15-4-3-11-22(15)19(23)14-9-7-13(8-10-14)16-5-2-6-17(20)18(16)21/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1
InChIKeyBWUHNFWUZMVNKH-HNNXBMFYSA-N
MW331.36 g/mol
LogP3.88
Rot. Bonds4

About [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone

[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 118794181) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID118794181
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
SMILESCOC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C19H19F2NO2/c1-24-12-15-4-3-11-22(15)19(23)14-9-7-13(8-10-14)16-5-2-6-17(20)18(16)21/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1
InChIKeyBWUHNFWUZMVNKH-HNNXBMFYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(4-pyrimidin-5-ylphenyl)methanone
CID 118775706
(2-chloro-6-fluorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866905
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-[3-(2-methylsulfanylphenyl)phenyl]methanone
CID 118779278
(4-fluorophenyl)-[2-(methoxymethyl)azetidin-1-yl]methanone
CID 126768552
[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-[4-(2-methyltetrazol-5-yl)phenyl]methanone
CID 77089273
(3,4-dichlorophenyl)-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 110866902
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 79027798
[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-(1-methylindazol-6-yl)methanone
CID 141275744
6-[2-(methoxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 154764419

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone (CID 118794181) is [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is COC[C@@H]1CCCN1C(=O)c1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BWUHNFWUZMVNKH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-24-12-15-4-3-11-22(15)19(23)14-9-7-13(8-10-14)16-5-2-6-17(20)18(16)21/h2,5-10,15H,3-4,11-12H2,1H3/t15-/m0/s1.
What are the key properties of [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone?
[4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 331.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-difluorophenyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118794181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).