2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

C20H21BrClFN2O — CID 146022667

IUPAC2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1F)NCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C20H21BrClFN2O/c21-17-5-3-4-15(20(17)23)12-19(26)24-13-18(25-10-1-2-11-25)14-6-8-16(22)9-7-14/h3-9,18H,1-2,10-13H2,(H,24,26)
InChIKeyBOFHHPICGHJFQB-UHFFFAOYSA-N
MW439.76 g/mol
LogP4.74
Rot. Bonds6

About 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide

2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 146022667) has the molecular formula C20H21BrClFN2O and a molecular weight of 439.76 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID146022667
Molecular FormulaC20H21BrClFN2O
Molecular Weight439.76 g/mol
Exact Mass438.05
IUPAC Name2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESO=C(Cc1cccc(Br)c1F)NCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C20H21BrClFN2O/c21-17-5-3-4-15(20(17)23)12-19(26)24-13-18(25-10-1-2-11-25)14-6-8-16(22)9-7-14/h3-9,18H,1-2,10-13H2,(H,24,26)
InChIKeyBOFHHPICGHJFQB-UHFFFAOYSA-N
XLogP4.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.76
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4'-Chloro-biphenyl-4-carboxylic acid [2-(2-bromo-4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 60130278
N-[2-(4-chlorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 3612505
N-[1-(4-chlorobenzyl)piperidin-3-yl]-2-(2-fluorophenyl)acetamide
CID 23723289
2-(4-chlorophenyl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]acetamide
CID 23723522
N-[1-(4-chlorobenzyl)-3-piperidinyl]-2-(2,3-difluorophenyl)acetamide
CID 23723802
3-bromo-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
CID 44453171
N-[1-(4-chlorobenzyl)-3-piperidinyl]-3-(3,4-difluorophenyl)propanamide
CID 23723736
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-3-bromo-4-chlorobenzamide
CID 162644925
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]acetamide
CID 18589007
2-(3-chlorophenyl)-N-[1-(4-fluorobenzyl)-5-oxo-3-pyrrolidinyl]acetamide
CID 45251905
1-[2-(4-Chlorophenyl)pyrrolidinyl]-2-(2-fluorophenyl)ethan-1-one
CID 45924749
2-(4-Chlorophenyl)-1-[2-(3-fluorophenyl)pyrrolidin-1-YL]ethan-1-one
CID 50747018

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide (CID 146022667) is 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is O=C(Cc1cccc(Br)c1F)NCC(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is BOFHHPICGHJFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrClFN2O/c21-17-5-3-4-15(20(17)23)12-19(26)24-13-18(25-10-1-2-11-25)14-6-8-16(22)9-7-14/h3-9,18H,1-2,10-13H2,(H,24,26).
What are the key properties of 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide?
2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 439.76 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)-N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 146022667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).