4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide

C28H19Cl2F3N2O2 — CID 53374115

IUPAC4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)ccc1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C28H19Cl2F3N2O2/c1-16-10-18(6-8-23(16)26(36)35-25-9-7-17-4-2-3-5-24(17)34-25)19-14-27(37-15-19,28(31,32)33)20-11-21(29)13-22(30)12-20/h2-14H,15H2,1H3,(H,34,35,36)
InChIKeyXPMOQVOZXDPERJ-UHFFFAOYSA-N
MW543.37 g/mol
LogP7.97
Rot. Bonds4

About 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide (PubChem CID 53374115) has the molecular formula C28H19Cl2F3N2O2 and a molecular weight of 543.37 g/mol. Its IUPAC name is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide.

Molecular Properties

Compound Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide
PubChem CID53374115
Molecular FormulaC28H19Cl2F3N2O2
Molecular Weight543.37 g/mol
Exact Mass542.08
IUPAC Name4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)ccc1C(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C28H19Cl2F3N2O2/c1-16-10-18(6-8-23(16)26(36)35-25-9-7-17-4-2-3-5-24(17)34-25)19-14-27(37-15-19,28(31,32)33)20-11-21(29)13-22(30)12-20/h2-14H,15H2,1H3,(H,34,35,36)
InChIKeyXPMOQVOZXDPERJ-UHFFFAOYSA-N
XLogP7.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.37
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide 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

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-(methoxyiminomethyl)-2-methylbenzamide
CID 137058833
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 53374004
tert-butyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoate;4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoic acid
CID 159591302
N-(5-chloro-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 90862528
6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-N-ethyl-2-methylpyridine-3-carboxamide
CID 53373886
methyl 6-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]pyridine-3-carboxylate
CID 67375724
tert-butyl 4-bromo-2-methylbenzoate;tert-butyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methylbenzoate;methane;tributyl-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]stannane
CID 158970040
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
4-bromo-N'-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]-2,6-difluorobenzohydrazide
CID 163288343
N-quinolin-2-ylnaphthalene-2-carboxamide
CID 46811579
N-(3-chloro-1,1,1-trifluoropropan-2-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 169004156
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methyl-N-[1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]benzamide
CID 25216898

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide?
The IUPAC name of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide (CID 53374115) is 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide.
What is the SMILES notation for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide?
The canonical SMILES for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide is Cc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)OC2)ccc1C(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide?
The InChIKey is XPMOQVOZXDPERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2F3N2O2/c1-16-10-18(6-8-23(16)26(36)35-25-9-7-17-4-2-3-5-24(17)34-25)19-14-27(37-15-19,28(31,32)33)20-11-21(29)13-22(30)12-20/h2-14H,15H2,1H3,(H,34,35,36).
What are the key properties of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide?
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide has a molecular weight of 543.37 g/mol, XLogP of 7.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-furan-3-yl]-2-methyl-N-quinolin-2-ylbenzamide is sourced from PubChem (CID 53374115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).