N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C24H20F6N2O2 — CID 89121402

IUPACN-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC=C(/C=C\C(=C/N)N(CCc1ccc(C(F)(F)F)cc1)C(=O)C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H20F6N2O2/c1-16(23(25,26)27)7-12-20(15-31)32(22(34)21(33)18-5-3-2-4-6-18)14-13-17-8-10-19(11-9-17)24(28,29)30/h2-12,15H,1,13-14,31H2/b12-7-,20-15+
InChIKeyPDMPSRWFLYYSKG-NVDTWQGNSA-N
MW482.42 g/mol
LogP5.43
Rot. Bonds8

About N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 89121402) has the molecular formula C24H20F6N2O2 and a molecular weight of 482.42 g/mol. Its IUPAC name is N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID89121402
Molecular FormulaC24H20F6N2O2
Molecular Weight482.42 g/mol
Exact Mass482.14
IUPAC NameN-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESC=C(/C=C\C(=C/N)N(CCc1ccc(C(F)(F)F)cc1)C(=O)C(=O)c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H20F6N2O2/c1-16(23(25,26)27)7-12-20(15-31)32(22(34)21(33)18-5-3-2-4-6-18)14-13-17-8-10-19(11-9-17)24(28,29)30/h2-12,15H,1,13-14,31H2/b12-7-,20-15+
InChIKeyPDMPSRWFLYYSKG-NVDTWQGNSA-N
XLogP5.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.42
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 89121402) is N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is C=C(/C=C\C(=C/N)N(CCc1ccc(C(F)(F)F)cc1)C(=O)C(=O)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is PDMPSRWFLYYSKG-NVDTWQGNSA-N. The full InChI is InChI=1S/C24H20F6N2O2/c1-16(23(25,26)27)7-12-20(15-31)32(22(34)21(33)18-5-3-2-4-6-18)14-13-17-8-10-19(11-9-17)24(28,29)30/h2-12,15H,1,13-14,31H2/b12-7-,20-15+.
What are the key properties of N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 482.42 g/mol, XLogP of 5.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-1-amino-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2-oxo-2-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 89121402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).