3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

C23H19Cl2F3N2O3 — CID 43077652

IUPAC3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESO=C(CN(Cc1ccco1)C(=O)CCc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H19Cl2F3N2O3/c24-18-8-3-5-15(22(18)25)10-11-21(32)30(13-16-6-4-12-33-16)14-20(31)29-19-9-2-1-7-17(19)23(26,27)28/h1-9,12H,10-11,13-14H2,(H,29,31)
InChIKeyLWXRETCIHPKJAZ-UHFFFAOYSA-N
MW499.32 g/mol
LogP6.21
Rot. Bonds8

About 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide

3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (PubChem CID 43077652) has the molecular formula C23H19Cl2F3N2O3 and a molecular weight of 499.32 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
PubChem CID43077652
Molecular FormulaC23H19Cl2F3N2O3
Molecular Weight499.32 g/mol
Exact Mass498.07
IUPAC Name3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
SMILESO=C(CN(Cc1ccco1)C(=O)CCc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H19Cl2F3N2O3/c24-18-8-3-5-15(22(18)25)10-11-21(32)30(13-16-6-4-12-33-16)14-20(31)29-19-9-2-1-7-17(19)23(26,27)28/h1-9,12H,10-11,13-14H2,(H,29,31)
InChIKeyLWXRETCIHPKJAZ-UHFFFAOYSA-N
XLogP6.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.32
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide
CID 4820624
3-cyano-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 4820634
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 4869481
N-(2,3-dichlorophenyl)-3-(furan-2-yl)propanamide
CID 51158824
2-[acetyl(furan-2-ylmethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113161143
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl-[2-[methyl(methylsulfonyl)amino]acetyl]amino]acetamide
CID 55606108
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
CID 5188830
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9197340

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide (CID 43077652) is 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is O=C(CN(Cc1ccco1)C(=O)CCc1cccc(Cl)c1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
The InChIKey is LWXRETCIHPKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O3/c24-18-8-3-5-15(22(18)25)10-11-21(32)30(13-16-6-4-12-33-16)14-20(31)29-19-9-2-1-7-17(19)23(26,27)28/h1-9,12H,10-11,13-14H2,(H,29,31).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide?
3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide has a molecular weight of 499.32 g/mol, XLogP of 6.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 43077652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).