4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C20H20F3NO — CID 59811276

IUPAC4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO/c1-14(2)6-7-15-8-10-17(11-9-15)19(25)24-13-16-4-3-5-18(12-16)20(21,22)23/h3-12,14H,13H2,1-2H3,(H,24,25)/b7-6+
InChIKeyBRNFANSYLQLORQ-VOTSOKGWSA-N
MW347.38 g/mol
LogP5.30
Rot. Bonds5

About 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 59811276) has the molecular formula C20H20F3NO and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID59811276
Molecular FormulaC20H20F3NO
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCC(C)/C=C/c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H20F3NO/c1-14(2)6-7-15-8-10-17(11-9-15)19(25)24-13-16-4-3-5-18(12-16)20(21,22)23/h3-12,14H,13H2,1-2H3,(H,24,25)/b7-6+
InChIKeyBRNFANSYLQLORQ-VOTSOKGWSA-N
XLogP5.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
4-[(E)-3,3-dimethylbut-1-enyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 59811458
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
CID 55749265
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 59811276) is 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CC(C)/C=C/c1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is BRNFANSYLQLORQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H20F3NO/c1-14(2)6-7-15-8-10-17(11-9-15)19(25)24-13-16-4-3-5-18(12-16)20(21,22)23/h3-12,14H,13H2,1-2H3,(H,24,25)/b7-6+.
What are the key properties of 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 347.38 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 59811276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).