4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide

C24H18F3N3O2 — CID 24900234

IUPAC4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18F3N3O2/c25-24(26,27)20-8-4-7-19(13-20)22(17-5-2-1-3-6-17)30-21(31)15-29-23(32)18-11-9-16(14-28)10-12-18/h1-13,22H,15H2,(H,29,32)(H,30,31)
InChIKeyCKNMXQZGBPJVGC-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.21
Rot. Bonds6

About 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide

4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide (PubChem CID 24900234) has the molecular formula C24H18F3N3O2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
PubChem CID24900234
Molecular FormulaC24H18F3N3O2
Molecular Weight437.42 g/mol
Exact Mass437.14
IUPAC Name4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide
SMILESN#Cc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C24H18F3N3O2/c25-24(26,27)20-8-4-7-19(13-20)22(17-5-2-1-3-6-17)30-21(31)15-29-23(32)18-11-9-16(14-28)10-12-18/h1-13,22H,15H2,(H,29,32)(H,30,31)
InChIKeyCKNMXQZGBPJVGC-UHFFFAOYSA-N
XLogP4.21
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 158545251
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970
[2-(benzhydrylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 4854042
N-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 26887208
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
[(1R)-2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-cyanobenzoate
CID 2355350
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]-3-phenylpropanamide
CID 59689158
N-[4-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]butyl]benzamide
CID 51181257

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The IUPAC name of 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide (CID 24900234) is 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The canonical SMILES for 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide is N#Cc1ccc(C(=O)NCC(=O)NC(c2ccccc2)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
The InChIKey is CKNMXQZGBPJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2/c25-24(26,27)20-8-4-7-19(13-20)22(17-5-2-1-3-6-17)30-21(31)15-29-23(32)18-11-9-16(14-28)10-12-18/h1-13,22H,15H2,(H,29,32)(H,30,31).
What are the key properties of 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide?
4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide has a molecular weight of 437.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-oxo-2-[[phenyl-[3-(trifluoromethyl)phenyl]methyl]amino]ethyl]benzamide is sourced from PubChem (CID 24900234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).