N-buta-2,3-dienyl-4-fluorobenzamide

C11H10FNO — CID 71475145

IUPACN-buta-2,3-dienyl-4-fluorobenzamide
SMILESC=C=CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14)
InChIKeyYMXBQIIPWIMAQE-UHFFFAOYSA-N
MW191.20 g/mol
LogP1.90
Rot. Bonds3

About N-buta-2,3-dienyl-4-fluorobenzamide

N-buta-2,3-dienyl-4-fluorobenzamide (PubChem CID 71475145) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is N-buta-2,3-dienyl-4-fluorobenzamide.

Molecular Properties

Compound NameN-buta-2,3-dienyl-4-fluorobenzamide
PubChem CID71475145
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC NameN-buta-2,3-dienyl-4-fluorobenzamide
SMILESC=C=CCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14)
InChIKeyYMXBQIIPWIMAQE-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-buta-2,3-dienyl-4-fluorobenzamide?
The IUPAC name of N-buta-2,3-dienyl-4-fluorobenzamide (CID 71475145) is N-buta-2,3-dienyl-4-fluorobenzamide.
What is the SMILES notation for N-buta-2,3-dienyl-4-fluorobenzamide?
The canonical SMILES for N-buta-2,3-dienyl-4-fluorobenzamide is C=C=CCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-buta-2,3-dienyl-4-fluorobenzamide?
The InChIKey is YMXBQIIPWIMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14).
What are the key properties of N-buta-2,3-dienyl-4-fluorobenzamide?
N-buta-2,3-dienyl-4-fluorobenzamide has a molecular weight of 191.20 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-2,3-dienyl-4-fluorobenzamide is sourced from PubChem (CID 71475145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).