N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide

C17H21FN2O2 — CID 169257859

IUPACN-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide
SMILESC=CNC(=O)CCC(C)N(C)C(=C)c1c(F)cccc1C=O
InChIInChI=1S/C17H21FN2O2/c1-5-19-16(22)10-9-12(2)20(4)13(3)17-14(11-21)7-6-8-15(17)18/h5-8,11-12H,1,3,9-10H2,2,4H3,(H,19,22)
InChIKeyMBNNLALMYJEDFN-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.97
Rot. Bonds8

About N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide

N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide (PubChem CID 169257859) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide.

Molecular Properties

Compound NameN-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide
PubChem CID169257859
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC NameN-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide
SMILESC=CNC(=O)CCC(C)N(C)C(=C)c1c(F)cccc1C=O
InChIInChI=1S/C17H21FN2O2/c1-5-19-16(22)10-9-12(2)20(4)13(3)17-14(11-21)7-6-8-15(17)18/h5-8,11-12H,1,3,9-10H2,2,4H3,(H,19,22)
InChIKeyMBNNLALMYJEDFN-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoro-6-formylphenoxy)-N-propan-2-ylpropanamide
CID 112611550
4-[(4-bromo-8-formylnaphthalen-1-yl)-methylamino]-N-formylpentanamide
CID 167470285
2-ethyl-1,3-difluorobenzene;N-formylpentanamide
CID 176933071
1-(2,6-difluorophenyl)-3-methylbut-3-en-1-one
CID 79522478
2-[(2,6-difluorobenzoyl)-methylamino]propanoic acid
CID 62627432
N-formyl-4-[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-methylamino]pentanamide
CID 176933591
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,6-difluoro-N-methylbenzamide
CID 63223093
2-ethenyl-3-fluorobenzaldehyde
CID 86657571
2-(2-fluoro-6-formylphenoxy)-N-prop-2-enylpropanamide
CID 112611593
2,6-difluoro-N-methyl-N-phenylbenzamide
CID 4694325
2-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-6-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]benzamide
CID 170749250
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide?
The IUPAC name of N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide (CID 169257859) is N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide.
What is the SMILES notation for N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide?
The canonical SMILES for N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide is C=CNC(=O)CCC(C)N(C)C(=C)c1c(F)cccc1C=O.
What is the InChIKey of N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide?
The InChIKey is MBNNLALMYJEDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-5-19-16(22)10-9-12(2)20(4)13(3)17-14(11-21)7-6-8-15(17)18/h5-8,11-12H,1,3,9-10H2,2,4H3,(H,19,22).
What are the key properties of N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide?
N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide has a molecular weight of 304.37 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-[1-(2-fluoro-6-formylphenyl)ethenyl-methylamino]pentanamide is sourced from PubChem (CID 169257859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).