5-(but-2-enoylamino)-2,4-difluorobenzamide

C11H10F2N2O2 — CID 78952252

IUPAC5-(but-2-enoylamino)-2,4-difluorobenzamide
SMILESCC=CC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C11H10F2N2O2/c1-2-3-10(16)15-9-4-6(11(14)17)7(12)5-8(9)13/h2-5H,1H3,(H2,14,17)(H,15,16)
InChIKeyYXAFHAWSUOGGKT-UHFFFAOYSA-N
MW240.21 g/mol
LogP1.58
Rot. Bonds3

About 5-(but-2-enoylamino)-2,4-difluorobenzamide

5-(but-2-enoylamino)-2,4-difluorobenzamide (PubChem CID 78952252) has the molecular formula C11H10F2N2O2 and a molecular weight of 240.21 g/mol. Its IUPAC name is 5-(but-2-enoylamino)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-(but-2-enoylamino)-2,4-difluorobenzamide
PubChem CID78952252
Molecular FormulaC11H10F2N2O2
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name5-(but-2-enoylamino)-2,4-difluorobenzamide
SMILESCC=CC(=O)Nc1cc(C(N)=O)c(F)cc1F
InChIInChI=1S/C11H10F2N2O2/c1-2-3-10(16)15-9-4-6(11(14)17)7(12)5-8(9)13/h2-5H,1H3,(H2,14,17)(H,15,16)
InChIKeyYXAFHAWSUOGGKT-UHFFFAOYSA-N
XLogP1.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 51.58
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

5-(but-2-enoylamino)-2-fluorobenzamide
CID 112726723
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
5-(5-carbamoyl-2,4-difluoroanilino)-5-oxopentanoic acid
CID 60942030
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2,4-difluorobenzamide
CID 61155996
4-(5-carbamoyl-2,4-difluoroanilino)-4-oxobutanoic acid
CID 54868061
5-(5-aminohexanoylamino)-2,4-difluorobenzamide
CID 82848894
5-[[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]amino]-2,4-difluorobenzamide
CID 56570320
2,4-difluoro-5-(4-methylpentan-2-ylamino)benzamide
CID 43673793
2,4-difluoro-5-(sulfamoylamino)benzamide
CID 112573250
2,4-difluoro-5-(heptan-2-ylamino)benzamide
CID 43673685
N-(3-amino-4-fluorophenyl)but-2-enamide
CID 76991046
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712

Frequently Asked Questions

What is the IUPAC name of 5-(but-2-enoylamino)-2,4-difluorobenzamide?
The IUPAC name of 5-(but-2-enoylamino)-2,4-difluorobenzamide (CID 78952252) is 5-(but-2-enoylamino)-2,4-difluorobenzamide.
What is the SMILES notation for 5-(but-2-enoylamino)-2,4-difluorobenzamide?
The canonical SMILES for 5-(but-2-enoylamino)-2,4-difluorobenzamide is CC=CC(=O)Nc1cc(C(N)=O)c(F)cc1F.
What is the InChIKey of 5-(but-2-enoylamino)-2,4-difluorobenzamide?
The InChIKey is YXAFHAWSUOGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O2/c1-2-3-10(16)15-9-4-6(11(14)17)7(12)5-8(9)13/h2-5H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-(but-2-enoylamino)-2,4-difluorobenzamide?
5-(but-2-enoylamino)-2,4-difluorobenzamide has a molecular weight of 240.21 g/mol, XLogP of 1.58, 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)-2,4-difluorobenzamide is sourced from PubChem (CID 78952252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).