(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide

C21H25BrN2O3 — CID 95784766

IUPAC(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1cc(C)c(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1OC
InChIInChI=1S/C21H25BrN2O3/c1-14-11-18(26-2)19(27-3)13-17(14)23-21(25)20(24-9-4-5-10-24)15-7-6-8-16(22)12-15/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyJHYRAHVDAPXODT-HXUWFJFHSA-N
MW433.35 g/mol
LogP4.55
Rot. Bonds6

About (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide

(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 95784766) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID95784766
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide
SMILESCOc1cc(C)c(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1OC
InChIInChI=1S/C21H25BrN2O3/c1-14-11-18(26-2)19(27-3)13-17(14)23-21(25)20(24-9-4-5-10-24)15-7-6-8-16(22)12-15/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,23,25)/t20-/m1/s1
InChIKeyJHYRAHVDAPXODT-HXUWFJFHSA-N
XLogP4.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-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-(2,4-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 95785421
methyl 2-(3-bromophenyl)-2-piperidin-1-ylacetate
CID 116860463
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 42912196
2-(3-bromophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 17432048
(2S)-N-(2-methoxy-5-methylphenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 8726424
3-[[(2S)-2-(3-bromophenyl)-2-pyrrolidin-1-ylacetyl]-methylamino]propanoic acid
CID 125152332
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
6-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 27286760
2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 55505861
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
(2R)-N-(2,6-dimethylphenyl)-2-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 1230131

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide (CID 95784766) is (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide is COc1cc(C)c(NC(=O)[C@@H](c2cccc(Br)c2)N2CCCC2)cc1OC.
What is the InChIKey of (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is JHYRAHVDAPXODT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-14-11-18(26-2)19(27-3)13-17(14)23-21(25)20(24-9-4-5-10-24)15-7-6-8-16(22)12-15/h6-8,11-13,20H,4-5,9-10H2,1-3H3,(H,23,25)/t20-/m1/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide?
(2R)-2-(3-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 433.35 g/mol, XLogP of 4.55, 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-(4,5-dimethoxy-2-methylphenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 95784766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).