2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide

C20H22BrClN2O2 — CID 43007289

IUPAC2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCCC2)c1
InChIInChI=1S/C20H22BrClN2O2/c1-26-14-8-9-17(21)16(12-14)20(25)23-13-19(24-10-4-5-11-24)15-6-2-3-7-18(15)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H,23,25)
InChIKeyGTDNSVVNAGIFPK-UHFFFAOYSA-N
MW437.77 g/mol
LogP4.68
Rot. Bonds6

About 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide

2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide (PubChem CID 43007289) has the molecular formula C20H22BrClN2O2 and a molecular weight of 437.77 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
PubChem CID43007289
Molecular FormulaC20H22BrClN2O2
Molecular Weight437.77 g/mol
Exact Mass436.06
IUPAC Name2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCCC2)c1
InChIInChI=1S/C20H22BrClN2O2/c1-26-14-8-9-17(21)16(12-14)20(25)23-13-19(24-10-4-5-11-24)15-6-2-3-7-18(15)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H,23,25)
InChIKeyGTDNSVVNAGIFPK-UHFFFAOYSA-N
XLogP4.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.77
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-5-methoxybenzamide
CID 55609908
2-bromo-5-methoxy-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35046513
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
2,4-dimethoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006298
2-bromo-4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 24686009
3-bromo-2,5-dimethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 24625048
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide
CID 17012199
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-3-methoxybenzamide;hydrochloride
CID 52984554
2-bromo-5-methoxy-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 55885642
N-[(2R)-1-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 25487459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide (CID 43007289) is 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC(c2ccccc2Cl)N2CCCC2)c1.
What is the InChIKey of 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide?
The InChIKey is GTDNSVVNAGIFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN2O2/c1-26-14-8-9-17(21)16(12-14)20(25)23-13-19(24-10-4-5-11-24)15-6-2-3-7-18(15)22/h2-3,6-9,12,19H,4-5,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide?
2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide has a molecular weight of 437.77 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-methoxybenzamide is sourced from PubChem (CID 43007289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).