3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

C22H24BrN3O3 — CID 112823926

IUPAC3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H24BrN3O3/c1-15(27)25-20(17-7-9-18(23)10-8-17)13-21(28)24-14-16-4-2-5-19(12-16)26-11-3-6-22(26)29/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyCZFMMSWJUBYWJG-UHFFFAOYSA-N
MW458.36 g/mol
LogP3.46
Rot. Bonds7

About 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide

3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (PubChem CID 112823926) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
PubChem CID112823926
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC Name3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C22H24BrN3O3/c1-15(27)25-20(17-7-9-18(23)10-8-17)13-21(28)24-14-16-4-2-5-19(12-16)26-11-3-6-22(26)29/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,24,28)(H,25,27)
InChIKeyCZFMMSWJUBYWJG-UHFFFAOYSA-N
XLogP3.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
CID 120588846
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
2-(4-methyl-2-oxo-1-pyridinyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 75381787
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
N-[1-(4-bromophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 55395402
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
2-[(3-methylphenyl)methylsulfanyl]-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39003307
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide (CID 112823926) is 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is CC(=O)NC(CC(=O)NCc1cccc(N2CCCC2=O)c1)c1ccc(Br)cc1.
What is the InChIKey of 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
The InChIKey is CZFMMSWJUBYWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-15(27)25-20(17-7-9-18(23)10-8-17)13-21(28)24-14-16-4-2-5-19(12-16)26-11-3-6-22(26)29/h2,4-5,7-10,12,20H,3,6,11,13-14H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide?
3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide has a molecular weight of 458.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 112823926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).