N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide

C19H15Cl3F3NO — CID 86675198

IUPACN-[[2-chloro-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)cc1Cl
InChIInChI=1S/C19H15Cl3F3NO/c1-11(27)26-10-13-4-2-12(6-18(13)22)3-5-17(19(23,24)25)14-7-15(20)9-16(21)8-14/h2-9,17H,10H2,1H3,(H,26,27)/b5-3+
InChIKeyJMLRFCKBXHYUBF-HWKANZROSA-N
MW436.69 g/mol
LogP6.64
Rot. Bonds5

About N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide

N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide (PubChem CID 86675198) has the molecular formula C19H15Cl3F3NO and a molecular weight of 436.69 g/mol. Its IUPAC name is N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide
PubChem CID86675198
Molecular FormulaC19H15Cl3F3NO
Molecular Weight436.69 g/mol
Exact Mass435.02
IUPAC NameN-[[2-chloro-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)cc1Cl
InChIInChI=1S/C19H15Cl3F3NO/c1-11(27)26-10-13-4-2-12(6-18(13)22)3-5-17(19(23,24)25)14-7-15(20)9-16(21)8-14/h2-9,17H,10H2,1H3,(H,26,27)/b5-3+
InChIKeyJMLRFCKBXHYUBF-HWKANZROSA-N
XLogP6.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.69
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]acetamide
CID 602663
N-[(3-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2681219
N-benzyl-3-(2,6-dichlorophenyl)acrylamide
CID 732564
3-(2,6-dichlorophenyl)-N-(4-methylbenzyl)acrylamide
CID 898775
3-(2-chlorophenyl)-N-(4-methylbenzyl)acrylamide
CID 875553
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-[(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

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide (CID 86675198) is N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-chloro-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)cc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
The InChIKey is JMLRFCKBXHYUBF-HWKANZROSA-N. The full InChI is InChI=1S/C19H15Cl3F3NO/c1-11(27)26-10-13-4-2-12(6-18(13)22)3-5-17(19(23,24)25)14-7-15(20)9-16(21)8-14/h2-9,17H,10H2,1H3,(H,26,27)/b5-3+.
What are the key properties of N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide?
N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide has a molecular weight of 436.69 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]methyl]acetamide is sourced from PubChem (CID 86675198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).