3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

C21H25BrN2O — CID 52669946

IUPAC3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1ccccc1Br
InChIInChI=1S/C21H25BrN2O/c1-23(21(25)13-12-17-8-2-4-10-19(17)22)16-18-9-3-5-11-20(18)24-14-6-7-15-24/h2-5,8-11H,6-7,12-16H2,1H3
InChIKeyRNBINMIGPWFLIZ-UHFFFAOYSA-N
MW401.35 g/mol
LogP4.64
Rot. Bonds6

About 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide

3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 52669946) has the molecular formula C21H25BrN2O and a molecular weight of 401.35 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID52669946
Molecular FormulaC21H25BrN2O
Molecular Weight401.35 g/mol
Exact Mass400.12
IUPAC Name3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCCC1)C(=O)CCc1ccccc1Br
InChIInChI=1S/C21H25BrN2O/c1-23(21(25)13-12-17-8-2-4-10-19(17)22)16-18-9-3-5-11-20(18)24-14-6-7-15-24/h2-5,8-11H,6-7,12-16H2,1H3
InChIKeyRNBINMIGPWFLIZ-UHFFFAOYSA-N
XLogP4.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
3-(1H-benzimidazol-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 43045408
N-methyl-3-(4-oxo-3H-quinazolin-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 137287838
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 35437793
3-(2-bromophenyl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 55833951
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51233348
2-amino-N-methyl-2-(4-methylphenyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 120669435
3-(cyclohexylcarbamoylamino)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 46523779
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(2-piperidin-1-ylphenyl)methyl]propanamide
CID 17413624
1-hydroxy-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907044
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-methyl-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55440043

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 52669946) is 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is RNBINMIGPWFLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O/c1-23(21(25)13-12-17-8-2-4-10-19(17)22)16-18-9-3-5-11-20(18)24-14-6-7-15-24/h2-5,8-11H,6-7,12-16H2,1H3.
What are the key properties of 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 401.35 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 52669946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).