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

C24H25ClF3NO — CID 134217718

IUPACN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide
SMILESCc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)C1CC1
InChIInChI=1S/C24H25ClF3NO/c1-14-10-17(4-6-19(14)13-29-23(30)18-7-8-18)5-9-21(24(26,27)28)20-11-15(2)22(25)16(3)12-20/h4-6,9-12,18,21H,7-8,13H2,1-3H3,(H,29,30)/b9-5+
InChIKeyLWHKNSUCRCXIGO-WEVVVXLNSA-N
MW435.92 g/mol
LogP6.65
Rot. Bonds6

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

N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide (PubChem CID 134217718) has the molecular formula C24H25ClF3NO and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide
PubChem CID134217718
Molecular FormulaC24H25ClF3NO
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC NameN-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide
SMILESCc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)C1CC1
InChIInChI=1S/C24H25ClF3NO/c1-14-10-17(4-6-19(14)13-29-23(30)18-7-8-18)5-9-21(24(26,27)28)20-11-15(2)22(25)16(3)12-20/h4-6,9-12,18,21H,7-8,13H2,1-3H3,(H,29,30)/b9-5+
InChIKeyLWHKNSUCRCXIGO-WEVVVXLNSA-N
XLogP6.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.92
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-phenylbutanamide
CID 2915274
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 15983447
N-[(2,4-dichlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2707304
N-[(2-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782252
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799788
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2597717
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
1-[[2-(3-chloro-4-methylphenyl)phenyl]methyl]-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 134801733
N-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 142740808
N-[1-(4-chlorophenyl)-2,2-difluoro-2-phenylethyl]acetamide
CID 134936949

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]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide (CID 134217718) is N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide is Cc1cc(/C=C/C(c2cc(C)c(Cl)c(C)c2)C(F)(F)F)ccc1CNC(=O)C1CC1.
What is the InChIKey of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide?
The InChIKey is LWHKNSUCRCXIGO-WEVVVXLNSA-N. The full InChI is InChI=1S/C24H25ClF3NO/c1-14-10-17(4-6-19(14)13-29-23(30)18-7-8-18)5-9-21(24(26,27)28)20-11-15(2)22(25)16(3)12-20/h4-6,9-12,18,21H,7-8,13H2,1-3H3,(H,29,30)/b9-5+.
What are the key properties of N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide?
N-[[4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-2-methylphenyl]methyl]cyclopropanecarboxamide has a molecular weight of 435.92 g/mol, XLogP of 6.65, 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]cyclopropanecarboxamide is sourced from PubChem (CID 134217718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).