(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one

C17H17BrN2O — CID 97325292

IUPAC(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1N[C@@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)16(12-4-2-1-3-5-12)20-15-10-11-19-17(15)21/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyFFEYNJLTPCLMQP-HOTGVXAUSA-N
MW345.24 g/mol
LogP3.02
Rot. Bonds4

About (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one

(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one (PubChem CID 97325292) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one
PubChem CID97325292
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one
SMILESO=C1NCC[C@@H]1N[C@@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)16(12-4-2-1-3-5-12)20-15-10-11-19-17(15)21/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16-/m0/s1
InChIKeyFFEYNJLTPCLMQP-HOTGVXAUSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one?
The IUPAC name of (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one (CID 97325292) is (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one is O=C1NCC[C@@H]1N[C@@H](c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one?
The InChIKey is FFEYNJLTPCLMQP-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H17BrN2O/c18-14-8-6-13(7-9-14)16(12-4-2-1-3-5-12)20-15-10-11-19-17(15)21/h1-9,15-16,20H,10-11H2,(H,19,21)/t15-,16-/m0/s1.
What are the key properties of (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one?
(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one has a molecular weight of 345.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 97325292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).