N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide

C18H21F2NO — CID 170955685

IUPACN-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide
SMILESC/C=C(F)\C(=C(F)/C=C\CC)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C18H21F2NO/c1-4-6-7-17(20)18(16(19)5-2)15-10-8-14(9-11-15)13(3)21-12-22/h5-13H,4H2,1-3H3,(H,21,22)/b7-6-,16-5+,18-17+
InChIKeyQMELCJHMZNPAPW-SQZIXHDHSA-N
MW305.37 g/mol
LogP5.01
Rot. Bonds7

About N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide

N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide (PubChem CID 170955685) has the molecular formula C18H21F2NO and a molecular weight of 305.37 g/mol. Its IUPAC name is N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide
PubChem CID170955685
Molecular FormulaC18H21F2NO
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC NameN-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide
SMILESC/C=C(F)\C(=C(F)/C=C\CC)c1ccc(C(C)NC=O)cc1
InChIInChI=1S/C18H21F2NO/c1-4-6-7-17(20)18(16(19)5-2)15-10-8-14(9-11-15)13(3)21-12-22/h5-13H,4H2,1-3H3,(H,21,22)/b7-6-,16-5+,18-17+
InChIKeyQMELCJHMZNPAPW-SQZIXHDHSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide?
The IUPAC name of N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide (CID 170955685) is N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide.
What is the SMILES notation for N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide?
The canonical SMILES for N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide is C/C=C(F)\C(=C(F)/C=C\CC)c1ccc(C(C)NC=O)cc1.
What is the InChIKey of N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide?
The InChIKey is QMELCJHMZNPAPW-SQZIXHDHSA-N. The full InChI is InChI=1S/C18H21F2NO/c1-4-6-7-17(20)18(16(19)5-2)15-10-8-14(9-11-15)13(3)21-12-22/h5-13H,4H2,1-3H3,(H,21,22)/b7-6-,16-5+,18-17+.
What are the key properties of N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide?
N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide has a molecular weight of 305.37 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(2E,4E,6Z)-3,5-difluoronona-2,4,6-trien-4-yl]phenyl]ethyl]formamide is sourced from PubChem (CID 170955685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).