N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide

C28H23F3N2O3 — CID 4820624

IUPACN-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide
SMILESO=C(CN(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C28H23F3N2O3/c29-28(30,31)23-15-7-8-16-24(23)32-25(34)19-33(18-22-14-9-17-36-22)27(35)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,26H,18-19H2,(H,32,34)
InChIKeyXZUHWZNDYXLNRN-UHFFFAOYSA-N
MW492.50 g/mol
LogP6.10
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide

N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide (PubChem CID 4820624) has the molecular formula C28H23F3N2O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide
PubChem CID4820624
Molecular FormulaC28H23F3N2O3
Molecular Weight492.50 g/mol
Exact Mass492.17
IUPAC NameN-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide
SMILESO=C(CN(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C28H23F3N2O3/c29-28(30,31)23-15-7-8-16-24(23)32-25(34)19-33(18-22-14-9-17-36-22)27(35)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,26H,18-19H2,(H,32,34)
InChIKeyXZUHWZNDYXLNRN-UHFFFAOYSA-N
XLogP6.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 4820634
3-(2,3-dichlorophenyl)-N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 43077652
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3-thiophen-2-ylprop-2-enamide
CID 4869481
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
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-3,3-diphenylpropanamide
CID 26897747
1-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17371088
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798
[4-[[furan-2-ylmethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl] methanesulfonate
CID 4197444
1-[2,2-bis(furan-2-yl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 131702607
N-ethyl-4-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pentanamide
CID 134059299
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113161103

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide (CID 4820624) is N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide is O=C(CN(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide?
The InChIKey is XZUHWZNDYXLNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3N2O3/c29-28(30,31)23-15-7-8-16-24(23)32-25(34)19-33(18-22-14-9-17-36-22)27(35)26(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,26H,18-19H2,(H,32,34).
What are the key properties of N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide?
N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide has a molecular weight of 492.50 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 4820624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).