N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide

C14H16FNO3 — CID 72688712

IUPACN-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H16FNO3/c1-4-5-6-7-14(17)16-11-9-13(19-3)12(18-2)8-10(11)15/h4-9H,1-3H3,(H,16,17)
InChIKeyHFVRINPBJOEHEE-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.91
Rot. Bonds5

About N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide

N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide (PubChem CID 72688712) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
PubChem CID72688712
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C14H16FNO3/c1-4-5-6-7-14(17)16-11-9-13(19-3)12(18-2)8-10(11)15/h4-9H,1-3H3,(H,16,17)
InChIKeyHFVRINPBJOEHEE-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
(2E,4E)-N-(4-chloro-2-methoxy-5-methylphenyl)hexa-2,4-dienamide
CID 9397804
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779
(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide
CID 46930514
(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
CID 26664579
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
(2E,4E)-N-(2-bromo-4-fluorophenyl)hexa-2,4-dienamide
CID 43134311
N-(2-bromo-5-fluorophenyl)hexa-2,4-dienamide
CID 103753396
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide?
The IUPAC name of N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide (CID 72688712) is N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide?
The canonical SMILES for N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1cc(OC)c(OC)cc1F.
What is the InChIKey of N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide?
The InChIKey is HFVRINPBJOEHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-4-5-6-7-14(17)16-11-9-13(19-3)12(18-2)8-10(11)15/h4-9H,1-3H3,(H,16,17).
What are the key properties of N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide?
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide has a molecular weight of 265.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 72688712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).