N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide

C22H24BrF3N2O2 — CID 44548938

IUPACN-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24BrF3N2O2/c23-19-14-16(6-7-20(19)30-13-12-28-10-1-2-11-28)8-9-27-21(29)17-4-3-5-18(15-17)22(24,25)26/h3-7,14-15H,1-2,8-13H2,(H,27,29)
InChIKeyVZIOYZFIZGDCDE-UHFFFAOYSA-N
MW485.34 g/mol
LogP4.91
Rot. Bonds8

About N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 44548938) has the molecular formula C22H24BrF3N2O2 and a molecular weight of 485.34 g/mol. Its IUPAC name is N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID44548938
Molecular FormulaC22H24BrF3N2O2
Molecular Weight485.34 g/mol
Exact Mass484.10
IUPAC NameN-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H24BrF3N2O2/c23-19-14-16(6-7-20(19)30-13-12-28-10-1-2-11-28)8-9-27-21(29)17-4-3-5-18(15-17)22(24,25)26/h3-7,14-15H,1-2,8-13H2,(H,27,29)
InChIKeyVZIOYZFIZGDCDE-UHFFFAOYSA-N
XLogP4.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.34
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-N-(2-(4-propylphenoxy)ethyl)benzamide
CID 2302649
3-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 1580663
4-[(2-bromophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3476681
N-(3-bromo-4-(2-(pyrrolidin-1-yl)ethoxy)phenethyl)-3-chlorobenzamide
CID 44548788
N-(3-bromo-4-(2-(pyrrolidin-1-yl)ethoxy)phenethyl)-3-bromobenzamide
CID 44548789
N-benzyl-3-bromo-4-ethoxybenzamide
CID 880591
4-bromo-N-[(3S)-1-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]pyrrolidin-3-yl]-3-methylbenzamide
CID 44399094
Hydrocinnamamide, alpha-((p-bromobenzoyl)amino)-4-(2-(diethylamino)ethoxy)-N,N-dipropyl-, (+-)-
CID 42219
3-bromo-4-methoxy-N-[3-(4-morpholinyl)propyl]benzamide
CID 2298847
3-bromo-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4881398
3-bromo-N-[2-(4-tert-butylphenoxy)ethyl]benzamide
CID 614740
N-[3-({3-[benzyl(methyl)amino]propyl}(methyl)amino)propyl]-3-bromo-4-ethoxybenzamide
CID 4072297

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide (CID 44548938) is N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide is O=C(NCCc1ccc(OCCN2CCCC2)c(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is VZIOYZFIZGDCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrF3N2O2/c23-19-14-16(6-7-20(19)30-13-12-28-10-1-2-11-28)8-9-27-21(29)17-4-3-5-18(15-17)22(24,25)26/h3-7,14-15H,1-2,8-13H2,(H,27,29).
What are the key properties of N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 485.34 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-bromo-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44548938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).