N-but-3-enyl-2-fluoro-4-hydroxybenzamide

C11H12FNO2 — CID 107676829

IUPACN-but-3-enyl-2-fluoro-4-hydroxybenzamide
SMILESC=CCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H12FNO2/c1-2-3-6-13-11(15)9-5-4-8(14)7-10(9)12/h2,4-5,7,14H,1,3,6H2,(H,13,15)
InChIKeyBZPTTXOAXNMUBI-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.84
Rot. Bonds4

About N-but-3-enyl-2-fluoro-4-hydroxybenzamide

N-but-3-enyl-2-fluoro-4-hydroxybenzamide (PubChem CID 107676829) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-but-3-enyl-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-but-3-enyl-2-fluoro-4-hydroxybenzamide
PubChem CID107676829
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-but-3-enyl-2-fluoro-4-hydroxybenzamide
SMILESC=CCCNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C11H12FNO2/c1-2-3-6-13-11(15)9-5-4-8(14)7-10(9)12/h2,4-5,7,14H,1,3,6H2,(H,13,15)
InChIKeyBZPTTXOAXNMUBI-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-bromohexyl)-2-fluoro-4-hydroxybenzamide
CID 107847909
N-[2-(4-chlorophenyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939851
N-(2-azidoethyl)-2-fluoro-4-hydroxybenzamide
CID 107677334
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940156
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
4-(2-but-3-enoxyethylcarbamoyl)-3-fluorobenzoic acid
CID 120695948
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
N-(3-cyclopentylpropyl)-2-fluoro-4-hydroxybenzamide
CID 103940047
prop-2-enyl 2-fluoro-4-hydroxybenzoate
CID 14852522
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
N-(2,3-dihydroxypropyl)-2-fluoro-4-hydroxybenzamide
CID 107677052

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-but-3-enyl-2-fluoro-4-hydroxybenzamide (CID 107676829) is N-but-3-enyl-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-but-3-enyl-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-but-3-enyl-2-fluoro-4-hydroxybenzamide is C=CCCNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-but-3-enyl-2-fluoro-4-hydroxybenzamide?
The InChIKey is BZPTTXOAXNMUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-3-6-13-11(15)9-5-4-8(14)7-10(9)12/h2,4-5,7,14H,1,3,6H2,(H,13,15).
What are the key properties of N-but-3-enyl-2-fluoro-4-hydroxybenzamide?
N-but-3-enyl-2-fluoro-4-hydroxybenzamide has a molecular weight of 209.22 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107676829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).