(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone

C15H12ClF2N3O2 — CID 129355694

IUPAC(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H12ClF2N3O2/c16-11-2-1-3-12(18)13(11)14(22)21-5-4-10(8-21)23-15-19-6-9(17)7-20-15/h1-3,6-7,10H,4-5,8H2/t10-/m0/s1
InChIKeyOKBXPQHIFXFTRB-JTQLQIEISA-N
MW339.73 g/mol
LogP2.70
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone

(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 129355694) has the molecular formula C15H12ClF2N3O2 and a molecular weight of 339.73 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
PubChem CID129355694
Molecular FormulaC15H12ClF2N3O2
Molecular Weight339.73 g/mol
Exact Mass339.06
IUPAC Name(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
SMILESO=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C15H12ClF2N3O2/c16-11-2-1-3-12(18)13(11)14(22)21-5-4-10(8-21)23-15-19-6-9(17)7-20-15/h1-3,6-7,10H,4-5,8H2/t10-/m0/s1
InChIKeyOKBXPQHIFXFTRB-JTQLQIEISA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.73
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-6-fluorophenyl)-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 154576628
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 129491148
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
[3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 119100397
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
cyclobutyl-[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129491136
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
(2-fluorophenyl)-(3-pyrimidin-2-yloxypyrrolidin-1-yl)methanone
CID 122243263

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone (CID 129355694) is (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is O=C(c1c(F)cccc1Cl)N1CC[C@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is OKBXPQHIFXFTRB-JTQLQIEISA-N. The full InChI is InChI=1S/C15H12ClF2N3O2/c16-11-2-1-3-12(18)13(11)14(22)21-5-4-10(8-21)23-15-19-6-9(17)7-20-15/h1-3,6-7,10H,4-5,8H2/t10-/m0/s1.
What are the key properties of (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone?
(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 339.73 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 129355694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).