N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide

C18H15F3N2O2 — CID 177043817

IUPACN-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide
SMILESC=CCC(C(=O)Nc1cc(N=O)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F3N2O2/c1-2-6-16(12-7-4-3-5-8-12)17(24)22-14-9-13(18(19,20)21)10-15(11-14)23-25/h2-5,7-11,16H,1,6H2,(H,22,24)
InChIKeyGDBOWPINTWXICV-UHFFFAOYSA-N
MW348.32 g/mol
LogP5.40
Rot. Bonds6

About N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide

N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide (PubChem CID 177043817) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide.

Molecular Properties

Compound NameN-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide
PubChem CID177043817
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide
SMILESC=CCC(C(=O)Nc1cc(N=O)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H15F3N2O2/c1-2-6-16(12-7-4-3-5-8-12)17(24)22-14-9-13(18(19,20)21)10-15(11-14)23-25/h2-5,7-11,16H,1,6H2,(H,22,24)
InChIKeyGDBOWPINTWXICV-UHFFFAOYSA-N
XLogP5.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.32
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,6-diphenylnona-1,8-dien-5-one
CID 69419927
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071
N-(4-bromophenyl)-2-(3,4-difluorophenyl)pent-4-enamide
CID 118368439
N-[1-[3-(trifluoromethyl)phenyl]but-3-enyl]aniline
CID 102383013
(2R)-2-phenyl-N-[6-(trifluoromethyl)quinolin-3-yl]butanediamide
CID 69345872
3-phenylhexa-1,5-dien-2-ol
CID 173444348
2-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-N'-[3-methyl-5-(trifluoromethyl)phenyl]propanediamide
CID 170288135
N-[3,5-bis(trifluoromethyl)phenyl]-2-methylbutanamide
CID 58825547
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 60620663
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
2-benzyl-1-[3,5-bis(trifluoromethyl)phenyl]pent-4-en-1-one
CID 72722618

Frequently Asked Questions

What is the IUPAC name of N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide?
The IUPAC name of N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide (CID 177043817) is N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide.
What is the SMILES notation for N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide?
The canonical SMILES for N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide is C=CCC(C(=O)Nc1cc(N=O)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide?
The InChIKey is GDBOWPINTWXICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-2-6-16(12-7-4-3-5-8-12)17(24)22-14-9-13(18(19,20)21)10-15(11-14)23-25/h2-5,7-11,16H,1,6H2,(H,22,24).
What are the key properties of N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide?
N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide has a molecular weight of 348.32 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-nitroso-5-(trifluoromethyl)phenyl]-2-phenylpent-4-enamide is sourced from PubChem (CID 177043817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).