4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide

C11H11ClFNO — CID 170797729

IUPAC4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
SMILESCc1cc(C=CCC(N)=O)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO/c1-7-5-8(3-2-4-11(14)15)10(13)6-9(7)12/h2-3,5-6H,4H2,1H3,(H2,14,15)
InChIKeyWDKFAXCUSWPPBS-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.68
Rot. Bonds3

About 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide

4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide (PubChem CID 170797729) has the molecular formula C11H11ClFNO and a molecular weight of 227.67 g/mol. Its IUPAC name is 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
PubChem CID170797729
Molecular FormulaC11H11ClFNO
Molecular Weight227.67 g/mol
Exact Mass227.05
IUPAC Name4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
SMILESCc1cc(C=CCC(N)=O)c(F)cc1Cl
InChIInChI=1S/C11H11ClFNO/c1-7-5-8(3-2-4-11(14)15)10(13)6-9(7)12/h2-3,5-6H,4H2,1H3,(H2,14,15)
InChIKeyWDKFAXCUSWPPBS-UHFFFAOYSA-N
XLogP2.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(4-bromo-2,5-difluorophenyl)but-3-enamide
CID 170798989
4-(5-fluoro-2-methylphenyl)but-3-enamide
CID 170797411
4-(4-amino-2,5-dimethylphenyl)but-3-enamide
CID 170797935
4-(5-chloro-2-fluoro-4-methylphenyl)but-3-en-1-amine
CID 170486783
4-(4-cyano-2,5-difluorophenyl)but-3-enamide
CID 170798299
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
4-(6-chloro-4-methyl-3-pyridinyl)but-3-enamide
CID 170797595
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
4-(2-amino-5-chlorophenyl)but-3-enamide
CID 170797582
4-(2-chloro-5-hydroxyphenyl)but-3-enamide
CID 170797475
4-(2-amino-4-chlorophenyl)but-3-enamide
CID 170797583

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide?
The IUPAC name of 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide (CID 170797729) is 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide.
What is the SMILES notation for 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide?
The canonical SMILES for 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide is Cc1cc(C=CCC(N)=O)c(F)cc1Cl.
What is the InChIKey of 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide?
The InChIKey is WDKFAXCUSWPPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO/c1-7-5-8(3-2-4-11(14)15)10(13)6-9(7)12/h2-3,5-6H,4H2,1H3,(H2,14,15).
What are the key properties of 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide?
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide has a molecular weight of 227.67 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide is sourced from PubChem (CID 170797729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).