methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate

C19H20BrNO2 — CID 71119843

IUPACmethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1
InChIInChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1
InChIKeyJAJZDAXXHHTQAT-UCFFOFKASA-N
MW374.28 g/mol
LogP3.68
Rot. Bonds4

About methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate

methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate (PubChem CID 71119843) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
PubChem CID71119843
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Namemethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1
InChIInChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1
InChIKeyJAJZDAXXHHTQAT-UCFFOFKASA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate (CID 71119843) is methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate is COC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1.
What is the InChIKey of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The InChIKey is JAJZDAXXHHTQAT-UCFFOFKASA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1.
What are the key properties of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate has a molecular weight of 374.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 71119843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).