[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone

C19H17F2NO3 — CID 122151889

IUPAC[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC(O)(C(F)F)C1
InChIInChI=1S/C19H17F2NO3/c20-18(21)19(25)10-11-22(12-19)17(24)15-9-5-4-8-14(15)16(23)13-6-2-1-3-7-13/h1-9,18,25H,10-12H2
InChIKeyXJKPWMWANSWPIZ-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.76
Rot. Bonds4

About [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone

[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 122151889) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID122151889
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1C(=O)N1CCC(O)(C(F)F)C1
InChIInChI=1S/C19H17F2NO3/c20-18(21)19(25)10-11-22(12-19)17(24)15-9-5-4-8-14(15)16(23)13-6-2-1-3-7-13/h1-9,18,25H,10-12H2
InChIKeyXJKPWMWANSWPIZ-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
phenyl-[2-(piperazine-1-carbonyl)phenyl]methanone;hydrochloride
CID 138999143
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
CID 136533613
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone
CID 129009182
1-[2-(3,4-dimethylbenzoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250951
[2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 110022807
[2-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9467029
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 154775772
(3R)-1-(2-benzoylbenzoyl)piperidine-3-carboxylic acid
CID 97233562
[2-(4-benzoyl-1,4-diazepane-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 36616294
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[2-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone
CID 9467028

Frequently Asked Questions

What is the IUPAC name of [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone (CID 122151889) is [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(O)(C(F)F)C1.
What is the InChIKey of [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is XJKPWMWANSWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c20-18(21)19(25)10-11-22(12-19)17(24)15-9-5-4-8-14(15)16(23)13-6-2-1-3-7-13/h1-9,18,25H,10-12H2.
What are the key properties of [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 345.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(difluoromethyl)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 122151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).