5-(but-2-enoylamino)-2-fluorobenzamide

C11H11FN2O2 — CID 112726723

IUPAC5-(but-2-enoylamino)-2-fluorobenzamide
SMILESCC=CC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H11FN2O2/c1-2-3-10(15)14-7-4-5-9(12)8(6-7)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,15)
InChIKeyLSIDBNBRAGUFEL-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.44
Rot. Bonds3

About 5-(but-2-enoylamino)-2-fluorobenzamide

5-(but-2-enoylamino)-2-fluorobenzamide (PubChem CID 112726723) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(but-2-enoylamino)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(but-2-enoylamino)-2-fluorobenzamide
PubChem CID112726723
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name5-(but-2-enoylamino)-2-fluorobenzamide
SMILESCC=CC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H11FN2O2/c1-2-3-10(15)14-7-4-5-9(12)8(6-7)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,15)
InChIKeyLSIDBNBRAGUFEL-UHFFFAOYSA-N
XLogP1.44
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046
5-(but-2-enoylamino)-2,4-difluorobenzamide
CID 78952252
N-(3-cyano-4-fluorophenyl)but-2-enamide
CID 78925603
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
5-(4-aminobutanoylamino)-2-fluorobenzamide
CID 43706573
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-2-fluorobenzamide
CID 61180405
5-[(2-amino-3-methylbutanoyl)amino]-2-fluorobenzamide
CID 43706561
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810

Frequently Asked Questions

What is the IUPAC name of 5-(but-2-enoylamino)-2-fluorobenzamide?
The IUPAC name of 5-(but-2-enoylamino)-2-fluorobenzamide (CID 112726723) is 5-(but-2-enoylamino)-2-fluorobenzamide.
What is the SMILES notation for 5-(but-2-enoylamino)-2-fluorobenzamide?
The canonical SMILES for 5-(but-2-enoylamino)-2-fluorobenzamide is CC=CC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 5-(but-2-enoylamino)-2-fluorobenzamide?
The InChIKey is LSIDBNBRAGUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-3-10(15)14-7-4-5-9(12)8(6-7)11(13)16/h2-6H,1H3,(H2,13,16)(H,14,15).
What are the key properties of 5-(but-2-enoylamino)-2-fluorobenzamide?
5-(but-2-enoylamino)-2-fluorobenzamide has a molecular weight of 222.22 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-2-enoylamino)-2-fluorobenzamide is sourced from PubChem (CID 112726723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).