N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide

C23H22ClF6NO — CID 144653260

IUPACN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide
SMILESCc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)CC(F)(F)F
InChIInChI=1S/C23H22ClF6NO/c1-13-8-16(4-6-17(13)12-31-20(32)11-22(25,26)27)5-7-19(23(28,29)30)18-9-14(2)21(24)15(3)10-18/h4-10,19H,11-12H2,1-3H3,(H,31,32)/b7-5+
InChIKeyMZEMWZVLSVNUTH-FNORWQNLSA-N
MW477.88 g/mol
LogP7.19
Rot. Bonds6

About N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide

N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 144653260) has the molecular formula C23H22ClF6NO and a molecular weight of 477.88 g/mol. Its IUPAC name is N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide
PubChem CID144653260
Molecular FormulaC23H22ClF6NO
Molecular Weight477.88 g/mol
Exact Mass477.13
IUPAC NameN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide
SMILESCc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)CC(F)(F)F
InChIInChI=1S/C23H22ClF6NO/c1-13-8-16(4-6-17(13)12-31-20(32)11-22(25,26)27)5-7-19(23(28,29)30)18-9-14(2)21(24)15(3)10-18/h4-10,19H,11-12H2,1-3H3,(H,31,32)/b7-5+
InChIKeyMZEMWZVLSVNUTH-FNORWQNLSA-N
XLogP7.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.88
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide with MolForge

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Related Compounds

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N-[(2,4-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782258
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2-difluoroethyl)piperidine-4-carboxamide
CID 134800670
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
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N-(4-chlorobenzyl)-3-(4-isobutylphenyl)acrylamide
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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide (CID 144653260) is N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide is Cc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)CC(F)(F)F.
What is the InChIKey of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is MZEMWZVLSVNUTH-FNORWQNLSA-N. The full InChI is InChI=1S/C23H22ClF6NO/c1-13-8-16(4-6-17(13)12-31-20(32)11-22(25,26)27)5-7-19(23(28,29)30)18-9-14(2)21(24)15(3)10-18/h4-10,19H,11-12H2,1-3H3,(H,31,32)/b7-5+.
What are the key properties of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide?
N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 477.88 g/mol, XLogP of 7.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 144653260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).