N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide

C19H16Cl2F3NO — CID 86675197

IUPACN-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1
InChIInChI=1S/C19H16Cl2F3NO/c1-12(26)25-11-14-4-2-13(3-5-14)6-7-18(19(22,23)24)15-8-16(20)10-17(21)9-15/h2-10,18H,11H2,1H3,(H,25,26)/b7-6+
InChIKeyUUBQYHHBTTUPBY-VOTSOKGWSA-N
MW402.24 g/mol
LogP5.99
Rot. Bonds5

About N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide

N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide (PubChem CID 86675197) has the molecular formula C19H16Cl2F3NO and a molecular weight of 402.24 g/mol. Its IUPAC name is N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide
PubChem CID86675197
Molecular FormulaC19H16Cl2F3NO
Molecular Weight402.24 g/mol
Exact Mass401.06
IUPAC NameN-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1
InChIInChI=1S/C19H16Cl2F3NO/c1-12(26)25-11-14-4-2-13(3-5-14)6-7-18(19(22,23)24)15-8-16(20)10-17(21)9-15/h2-10,18H,11H2,1H3,(H,25,26)/b7-6+
InChIKeyUUBQYHHBTTUPBY-VOTSOKGWSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.24
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

(E)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 11983241
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2681219
N-[[2-(3-chlorophenyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)acetamide
CID 46890911
3-(2,6-dichlorophenyl)-N-(4-methylbenzyl)acrylamide
CID 898775
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 16196728
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-[(2,5-dichlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162650656
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 118727198
N-(3,5-Dichloro-benzyl)-3,3-diphenyl-propionamide
CID 44287557
N-[1-[4-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66634807
N-(3-{[(2-Chlorobiphenyl-4-Yl)methyl]amino}propyl)acetamide
CID 122391188

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide (CID 86675197) is N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(/C=C/C(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1.
What is the InChIKey of N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The InChIKey is UUBQYHHBTTUPBY-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H16Cl2F3NO/c1-12(26)25-11-14-4-2-13(3-5-14)6-7-18(19(22,23)24)15-8-16(20)10-17(21)9-15/h2-10,18H,11H2,1H3,(H,25,26)/b7-6+.
What are the key properties of N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide has a molecular weight of 402.24 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide is sourced from PubChem (CID 86675197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).