N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide

C29H27BrF3N3O — CID 164757446

IUPACN-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCC(NC(=O)c1ccccc1)c1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C29H27BrF3N3O/c1-35(2)19-18-24(34-28(37)21-8-4-3-5-9-21)27-17-16-25(20-12-14-22(30)15-13-20)36(27)26-11-7-6-10-23(26)29(31,32)33/h3-17,24H,18-19H2,1-2H3,(H,34,37)
InChIKeyCXRZSCURHYOOJZ-UHFFFAOYSA-N
MW570.45 g/mol
LogP7.35
Rot. Bonds8

About N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide

N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide (PubChem CID 164757446) has the molecular formula C29H27BrF3N3O and a molecular weight of 570.45 g/mol. Its IUPAC name is N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide.

Molecular Properties

Compound NameN-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide
PubChem CID164757446
Molecular FormulaC29H27BrF3N3O
Molecular Weight570.45 g/mol
Exact Mass569.13
IUPAC NameN-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide
SMILESCN(C)CCC(NC(=O)c1ccccc1)c1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C29H27BrF3N3O/c1-35(2)19-18-24(34-28(37)21-8-4-3-5-9-21)27-17-16-25(20-12-14-22(30)15-13-20)36(27)26-11-7-6-10-23(26)29(31,32)33/h3-17,24H,18-19H2,1-2H3,(H,34,37)
InChIKeyCXRZSCURHYOOJZ-UHFFFAOYSA-N
XLogP7.35
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.45
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]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

3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide
CID 11606008
6-bromo-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 10523297
3-bromo-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10837046
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-fluorobenzamide
CID 11176676
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-fluorobenzamide
CID 11338185
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-fluorobenzamide
CID 11395078
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)benzamide
CID 11406023
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-methylbenzamide
CID 11451896
CID 11474133
CID 11474133
2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11710766
N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-2-methylbenzamide
CID 11749400
N-(6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methylbenzamide
CID 11773505

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide?
The IUPAC name of N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide (CID 164757446) is N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide.
What is the SMILES notation for N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide?
The canonical SMILES for N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide is CN(C)CCC(NC(=O)c1ccccc1)c1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide?
The InChIKey is CXRZSCURHYOOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27BrF3N3O/c1-35(2)19-18-24(34-28(37)21-8-4-3-5-9-21)27-17-16-25(20-12-14-22(30)15-13-20)36(27)26-11-7-6-10-23(26)29(31,32)33/h3-17,24H,18-19H2,1-2H3,(H,34,37).
What are the key properties of N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide?
N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide has a molecular weight of 570.45 g/mol, XLogP of 7.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-bromophenyl)-1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]-3-(dimethylamino)propyl]benzamide is sourced from PubChem (CID 164757446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).