4-(3,5-dichloro-4-fluorophenyl)but-3-enamide

C10H8Cl2FNO — CID 170797705

IUPAC4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H8Cl2FNO/c11-7-4-6(2-1-3-9(14)15)5-8(12)10(7)13/h1-2,4-5H,3H2,(H2,14,15)
InChIKeyUTHIEAHDZSERNH-UHFFFAOYSA-N
MW248.08 g/mol
LogP3.02
Rot. Bonds3

About 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide

4-(3,5-dichloro-4-fluorophenyl)but-3-enamide (PubChem CID 170797705) has the molecular formula C10H8Cl2FNO and a molecular weight of 248.08 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
PubChem CID170797705
Molecular FormulaC10H8Cl2FNO
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
SMILESNC(=O)CC=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C10H8Cl2FNO/c11-7-4-6(2-1-3-9(14)15)5-8(12)10(7)13/h1-2,4-5H,3H2,(H2,14,15)
InChIKeyUTHIEAHDZSERNH-UHFFFAOYSA-N
XLogP3.02
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(3,5-dichloro-4-fluorophenyl)but-3-enoate
CID 170795936
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
CID 170797801
(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
5-(4-amino-4-oxobut-1-enyl)-2-chlorobenzoic acid
CID 170798138
4-(3-chloro-4-methoxyphenyl)but-3-enamide
CID 170797760
4-(3,5-difluoro-4-nitrophenyl)but-3-enamide
CID 170798572
3-(3,5-dichloro-4-fluorophenyl)-N-methylprop-2-en-1-amine
CID 169473411
4-(2-chloro-5-fluoro-4-nitrophenyl)but-3-enamide
CID 170798570
4-(4-chloro-2-fluoro-5-methylphenyl)but-3-enamide
CID 170797729
4-(2-amino-3,5-dichlorophenyl)but-3-enamide
CID 170797950

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide?
The IUPAC name of 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide (CID 170797705) is 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide.
What is the SMILES notation for 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide?
The canonical SMILES for 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide is NC(=O)CC=Cc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide?
The InChIKey is UTHIEAHDZSERNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FNO/c11-7-4-6(2-1-3-9(14)15)5-8(12)10(7)13/h1-2,4-5H,3H2,(H2,14,15).
What are the key properties of 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide?
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide has a molecular weight of 248.08 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-fluorophenyl)but-3-enamide is sourced from PubChem (CID 170797705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).