(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate

C20H19BrFNO4 — CID 55998356

IUPAC(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1Br)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H19BrFNO4/c21-16-7-3-1-6-14(16)12-27-20(26)18-10-15(24)11-23(18)19(25)9-13-5-2-4-8-17(13)22/h1-8,15,18,24H,9-12H2
InChIKeyIRHDBFCJZXWGBR-UHFFFAOYSA-N
MW436.28 g/mol
LogP2.84
Rot. Bonds5

About (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate

(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 55998356) has the molecular formula C20H19BrFNO4 and a molecular weight of 436.28 g/mol. Its IUPAC name is (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID55998356
Molecular FormulaC20H19BrFNO4
Molecular Weight436.28 g/mol
Exact Mass435.05
IUPAC Name(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1Br)C1CC(O)CN1C(=O)Cc1ccccc1F
InChIInChI=1S/C20H19BrFNO4/c21-16-7-3-1-6-14(16)12-27-20(26)18-10-15(24)11-23(18)19(25)9-13-5-2-4-8-17(13)22/h1-8,15,18,24H,9-12H2
InChIKeyIRHDBFCJZXWGBR-UHFFFAOYSA-N
XLogP2.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate (CID 55998356) is (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate is O=C(OCc1ccccc1Br)C1CC(O)CN1C(=O)Cc1ccccc1F.
What is the InChIKey of (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is IRHDBFCJZXWGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrFNO4/c21-16-7-3-1-6-14(16)12-27-20(26)18-10-15(24)11-23(18)19(25)9-13-5-2-4-8-17(13)22/h1-8,15,18,24H,9-12H2.
What are the key properties of (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate?
(2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 436.28 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 1-[2-(2-fluorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 55998356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).