N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide

C26H25Cl2NO — CID 127050820

IUPACN-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H25Cl2NO/c1-4-22(23-15-12-20(27)16-24(23)28)25(18-8-6-5-7-9-18)19-10-13-21(14-11-19)29-26(30)17(2)3/h5-17H,4H2,1-3H3,(H,29,30)/b25-22+
InChIKeyGZJYCMOCENYDKE-YYDJUVGSSA-N
MW438.40 g/mol
LogP7.96
Rot. Bonds6

About N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide

N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide (PubChem CID 127050820) has the molecular formula C26H25Cl2NO and a molecular weight of 438.40 g/mol. Its IUPAC name is N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
PubChem CID127050820
Molecular FormulaC26H25Cl2NO
Molecular Weight438.40 g/mol
Exact Mass437.13
IUPAC NameN-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide
SMILESCC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C26H25Cl2NO/c1-4-22(23-15-12-20(27)16-24(23)28)25(18-8-6-5-7-9-18)19-10-13-21(14-11-19)29-26(30)17(2)3/h5-17H,4H2,1-3H3,(H,29,30)/b25-22+
InChIKeyGZJYCMOCENYDKE-YYDJUVGSSA-N
XLogP7.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.40
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide (CID 127050820) is N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide is CC/C(=C(/c1ccccc1)c1ccc(NC(=O)C(C)C)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
The InChIKey is GZJYCMOCENYDKE-YYDJUVGSSA-N. The full InChI is InChI=1S/C26H25Cl2NO/c1-4-22(23-15-12-20(27)16-24(23)28)25(18-8-6-5-7-9-18)19-10-13-21(14-11-19)29-26(30)17(2)3/h5-17H,4H2,1-3H3,(H,29,30)/b25-22+.
What are the key properties of N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide?
N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide has a molecular weight of 438.40 g/mol, XLogP of 7.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(2,4-dichlorophenyl)-1-phenylbut-1-enyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 127050820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).