3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

C20H23BrN2O2 — CID 43005762

IUPAC3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(Br)c2)N2CCCC2)c1
InChIInChI=1S/C20H23BrN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24)
InChIKeyGXFFRQXKJCLIIF-UHFFFAOYSA-N
MW403.32 g/mol
LogP4.02
Rot. Bonds6

About 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide

3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 43005762) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID43005762
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cccc(Br)c2)N2CCCC2)c1
InChIInChI=1S/C20H23BrN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24)
InChIKeyGXFFRQXKJCLIIF-UHFFFAOYSA-N
XLogP4.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
3-methoxy-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35133193
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
4-(dimethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005778
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
4-(difluoromethoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005704
ethyl N-[4-[[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]phenyl]carbamate
CID 46446884
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277
3-[(2-cyanophenyl)methoxy]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 60572726
2-(difluoromethyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3H-benzimidazole-5-carboxamide
CID 56561284
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
3-methoxy-N-[(2R)-2-pyrrolidin-1-ylbutyl]benzamide
CID 51658006

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide (CID 43005762) is 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is COc1cccc(C(CNC(=O)c2cccc(Br)c2)N2CCCC2)c1.
What is the InChIKey of 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is GXFFRQXKJCLIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-25-18-9-5-6-15(13-18)19(23-10-2-3-11-23)14-22-20(24)16-7-4-8-17(21)12-16/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,22,24).
What are the key properties of 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide?
3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 403.32 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 43005762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).