N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide

C21H17BrF3NO2 — CID 51057322

IUPACN-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESCc1c(Br)cccc1NC(=O)CCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C21H17BrF3NO2/c1-13-17(22)7-4-8-18(13)26-20(27)12-10-14-9-11-19(28-14)15-5-2-3-6-16(15)21(23,24)25/h2-9,11H,10,12H2,1H3,(H,26,27)
InChIKeyCNSWGEQEWYTTEQ-UHFFFAOYSA-N
MW452.27 g/mol
LogP6.61
Rot. Bonds5

About N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide

N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide (PubChem CID 51057322) has the molecular formula C21H17BrF3NO2 and a molecular weight of 452.27 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
PubChem CID51057322
Molecular FormulaC21H17BrF3NO2
Molecular Weight452.27 g/mol
Exact Mass451.04
IUPAC NameN-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
SMILESCc1c(Br)cccc1NC(=O)CCc1ccc(-c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C21H17BrF3NO2/c1-13-17(22)7-4-8-18(13)26-20(27)12-10-14-9-11-19(28-14)15-5-2-3-6-16(15)21(23,24)25/h2-9,11H,10,12H2,1H3,(H,26,27)
InChIKeyCNSWGEQEWYTTEQ-UHFFFAOYSA-N
XLogP6.61
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.27
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide 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

N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 22587391
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
N-[2-(2-bromoanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)furan-2-yl]-N-methylpropanamide
CID 27801052
3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 170887550
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
N-(3-bromo-2-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733456
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-nitrophenyl)propanamide
CID 18093403
3-(2,3-dimethylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109036048
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-methylbutan-2-yl)propanamide
CID 46554729

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide (CID 51057322) is N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide is Cc1c(Br)cccc1NC(=O)CCc1ccc(-c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
The InChIKey is CNSWGEQEWYTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrF3NO2/c1-13-17(22)7-4-8-18(13)26-20(27)12-10-14-9-11-19(28-14)15-5-2-3-6-16(15)21(23,24)25/h2-9,11H,10,12H2,1H3,(H,26,27).
What are the key properties of N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide?
N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide has a molecular weight of 452.27 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide is sourced from PubChem (CID 51057322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).