4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

C18H19BrClFN2O2 — CID 119550855

IUPAC4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCNC1.Cl
InChIInChI=1S/C18H18BrFN2O2.ClH/c1-22(14-8-9-21-11-14)18(23)12-2-7-17(16(20)10-12)24-15-5-3-13(19)4-6-15;/h2-7,10,14,21H,8-9,11H2,1H3;1H
InChIKeyNSALMYFYIXQSRB-UHFFFAOYSA-N
MW429.72 g/mol
LogP4.24
Rot. Bonds4

About 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride

4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (PubChem CID 119550855) has the molecular formula C18H19BrClFN2O2 and a molecular weight of 429.72 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
PubChem CID119550855
Molecular FormulaC18H19BrClFN2O2
Molecular Weight429.72 g/mol
Exact Mass428.03
IUPAC Name4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCNC1.Cl
InChIInChI=1S/C18H18BrFN2O2.ClH/c1-22(14-8-9-21-11-14)18(23)12-2-7-17(16(20)10-12)24-15-5-3-13(19)4-6-15;/h2-7,10,14,21H,8-9,11H2,1H3;1H
InChIKeyNSALMYFYIXQSRB-UHFFFAOYSA-N
XLogP4.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.72
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenoxy)-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443707
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
4-(4-chloro-2-nitrophenoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119553316
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
6-(4-bromophenoxy)-N-methyl-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119441262
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N,3,4-trimethyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554368
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
4-fluoro-3-(methoxymethyl)-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 125146023
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride (CID 119550855) is 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(Oc2ccc(Br)cc2)c(F)c1)C1CCNC1.Cl.
What is the InChIKey of 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
The InChIKey is NSALMYFYIXQSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2.ClH/c1-22(14-8-9-21-11-14)18(23)12-2-7-17(16(20)10-12)24-15-5-3-13(19)4-6-15;/h2-7,10,14,21H,8-9,11H2,1H3;1H.
What are the key properties of 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride?
4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride has a molecular weight of 429.72 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119550855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).