N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide

C24H27BrN2O2 — CID 46902939

IUPACN-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C24H27BrN2O2/c25-18-11-13-19(14-12-18)26-23(28)15-21-22(17-7-3-1-4-8-17)16-27(24(21)29)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20-22H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,22-/m1/s1
InChIKeyBFSGZDHFXOHUBS-FGZHOGPDSA-N
MW455.40 g/mol
LogP5.35
Rot. Bonds5

About N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide

N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 46902939) has the molecular formula C24H27BrN2O2 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID46902939
Molecular FormulaC24H27BrN2O2
Molecular Weight455.40 g/mol
Exact Mass454.13
IUPAC NameN-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1c1ccccc1)Nc1ccc(Br)cc1
InChIInChI=1S/C24H27BrN2O2/c25-18-11-13-19(14-12-18)26-23(28)15-21-22(17-7-3-1-4-8-17)16-27(24(21)29)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20-22H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,22-/m1/s1
InChIKeyBFSGZDHFXOHUBS-FGZHOGPDSA-N
XLogP5.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.40
LogP ≤ 55.35
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)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide (CID 46902939) is N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide is O=C(C[C@H]1C(=O)N(C2CCCCC2)C[C@@H]1c1ccccc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is BFSGZDHFXOHUBS-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H27BrN2O2/c25-18-11-13-19(14-12-18)26-23(28)15-21-22(17-7-3-1-4-8-17)16-27(24(21)29)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20-22H,2,5-6,9-10,15-16H2,(H,26,28)/t21-,22-/m1/s1.
What are the key properties of N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide?
N-(4-bromophenyl)-2-[(3R,4S)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 455.40 g/mol, XLogP of 5.35, 5 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)-1-cyclohexyl-2-oxo-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 46902939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).