(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide

C20H23BrN2O3 — CID 95785421

IUPAC(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c(OC)c1
InChIInChI=1S/C20H23BrN2O3/c1-25-16-8-9-17(18(13-16)26-2)22-20(24)19(23-10-3-4-11-23)14-6-5-7-15(21)12-14/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyHOPNTOUWYUEOEV-LJQANCHMSA-N
MW419.32 g/mol
LogP4.24
Rot. Bonds6

About (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide

(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 95785421) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID95785421
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c(OC)c1
InChIInChI=1S/C20H23BrN2O3/c1-25-16-8-9-17(18(13-16)26-2)22-20(24)19(23-10-3-4-11-23)14-6-5-7-15(21)12-14/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,22,24)/t19-/m1/s1
InChIKeyHOPNTOUWYUEOEV-LJQANCHMSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 95784766
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
1-[(3-bromophenyl)-(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3927621
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpropanamide
CID 97038174
3-bromo-N-[(2,4-dimethoxyphenyl)carbamothioyl]benzamide
CID 1018544
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
methyl (3S)-1-[(1R)-2-amino-1-(3-bromophenyl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 99850820
4-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 2709343
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005762
(2S)-2-(azepan-1-yl)-2-(2,4-dimethoxyphenyl)acetic acid
CID 93464327
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide (CID 95785421) is (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide is COc1ccc(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)c(OC)c1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is HOPNTOUWYUEOEV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-25-16-8-9-17(18(13-16)26-2)22-20(24)19(23-10-3-4-11-23)14-6-5-7-15(21)12-14/h5-9,12-13,19H,3-4,10-11H2,1-2H3,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide?
(2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 419.32 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-N-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 95785421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).