2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide

C13H16BrFN2O — CID 119553066

IUPAC2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cc1ccc(F)c(Br)c1)C1CCNC1
InChIInChI=1S/C13H16BrFN2O/c1-17(10-4-5-16-8-10)13(18)7-9-2-3-12(15)11(14)6-9/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyLXLVONZERDPNAZ-UHFFFAOYSA-N
MW315.19 g/mol
LogP1.95
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide

2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119553066) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
PubChem CID119553066
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)Cc1ccc(F)c(Br)c1)C1CCNC1
InChIInChI=1S/C13H16BrFN2O/c1-17(10-4-5-16-8-10)13(18)7-9-2-3-12(15)11(14)6-9/h2-3,6,10,16H,4-5,7-8H2,1H3
InChIKeyLXLVONZERDPNAZ-UHFFFAOYSA-N
XLogP1.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62115753
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562
N-methyl-N-[(3S)-pyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 71641161
1-(3-bromo-4-fluorophenyl)-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611174
N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide (CID 119553066) is 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide is CN(C(=O)Cc1ccc(F)c(Br)c1)C1CCNC1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is LXLVONZERDPNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-17(10-4-5-16-8-10)13(18)7-9-2-3-12(15)11(14)6-9/h2-3,6,10,16H,4-5,7-8H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide?
2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 315.19 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119553066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).