N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide

C22H24Br2N2O2 — CID 46903038

IUPACN-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCN1C[C@H](c2ccc(Br)cc2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C22H24Br2N2O2/c1-2-3-12-26-14-20(15-4-6-16(23)7-5-15)19(22(26)28)13-21(27)25-18-10-8-17(24)9-11-18/h4-11,19-20H,2-3,12-14H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyLLDFYUXJYMSZCG-WOJBJXKFSA-N
MW508.25 g/mol
LogP5.58
Rot. Bonds7

About N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide

N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 46903038) has the molecular formula C22H24Br2N2O2 and a molecular weight of 508.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide
PubChem CID46903038
Molecular FormulaC22H24Br2N2O2
Molecular Weight508.25 g/mol
Exact Mass506.02
IUPAC NameN-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide
SMILESCCCCN1C[C@H](c2ccc(Br)cc2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C22H24Br2N2O2/c1-2-3-12-26-14-20(15-4-6-16(23)7-5-15)19(22(26)28)13-21(27)25-18-10-8-17(24)9-11-18/h4-11,19-20H,2-3,12-14H2,1H3,(H,25,27)/t19-,20-/m1/s1
InChIKeyLLDFYUXJYMSZCG-WOJBJXKFSA-N
XLogP5.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide (CID 46903038) is N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide is CCCCN1C[C@H](c2ccc(Br)cc2)[C@@H](CC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is LLDFYUXJYMSZCG-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24Br2N2O2/c1-2-3-12-26-14-20(15-4-6-16(23)7-5-15)19(22(26)28)13-21(27)25-18-10-8-17(24)9-11-18/h4-11,19-20H,2-3,12-14H2,1H3,(H,25,27)/t19-,20-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide?
N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 508.25 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(3R,4S)-4-(4-bromophenyl)-1-butyl-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 46903038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).