2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide

C13H14FNO — CID 142305806

IUPAC2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
SMILESC=C/C(=C\C)c1cc(C(N)=O)c(F)cc1C
InChIInChI=1S/C13H14FNO/c1-4-9(5-2)10-7-11(13(15)16)12(14)6-8(10)3/h4-7H,1H2,2-3H3,(H2,15,16)/b9-5+
InChIKeyYQUXNJWUDMWFNX-WEVVVXLNSA-N
MW219.26 g/mol
LogP2.82
Rot. Bonds3

About 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide

2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide (PubChem CID 142305806) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
PubChem CID142305806
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide
SMILESC=C/C(=C\C)c1cc(C(N)=O)c(F)cc1C
InChIInChI=1S/C13H14FNO/c1-4-9(5-2)10-7-11(13(15)16)12(14)6-8(10)3/h4-7H,1H2,2-3H3,(H2,15,16)/b9-5+
InChIKeyYQUXNJWUDMWFNX-WEVVVXLNSA-N
XLogP2.82
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2,5-dimethylbenzamide
CID 119025196
5-buta-1,3-dien-2-yl-2-fluorobenzamide
CID 123226299
1-(2-fluoro-4,5-dimethylphenyl)prop-2-en-1-one
CID 83957904
2-fluoro-5-methyl-4-phenylbenzamide
CID 171905692
5-fluoro-2-methyl-4-propan-2-ylbenzamide
CID 58333607
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
1-buta-1,3-dien-2-yl-4,5-difluoro-2-methylbenzene
CID 142393567
2-fluoro-5-methyl-4-nitrobenzamide
CID 130894297
5-ethanethioyl-2-fluorobenzamide
CID 143472419
2-fluoro-3-[(3E)-hexa-1,3,5-trien-3-yl]benzamide
CID 143768621
3-fluoro-2,4-dimethylbenzamide
CID 119006165

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide?
The IUPAC name of 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide (CID 142305806) is 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide?
The canonical SMILES for 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide is C=C/C(=C\C)c1cc(C(N)=O)c(F)cc1C.
What is the InChIKey of 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide?
The InChIKey is YQUXNJWUDMWFNX-WEVVVXLNSA-N. The full InChI is InChI=1S/C13H14FNO/c1-4-9(5-2)10-7-11(13(15)16)12(14)6-8(10)3/h4-7H,1H2,2-3H3,(H2,15,16)/b9-5+.
What are the key properties of 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide?
2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide has a molecular weight of 219.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-5-[(3E)-penta-1,3-dien-3-yl]benzamide is sourced from PubChem (CID 142305806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).