2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide

C14H8Cl3FN2O2 — CID 2779657

IUPAC2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C14H8Cl3FN2O2/c15-12(13(16)17)14(21)20-8-5-6-11(19-7-8)22-10-4-2-1-3-9(10)18/h1-7H,(H,20,21)
InChIKeyOQVWUJGKPXKUKX-UHFFFAOYSA-N
MW361.59 g/mol
LogP4.84
Rot. Bonds4

About 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide

2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 2779657) has the molecular formula C14H8Cl3FN2O2 and a molecular weight of 361.59 g/mol. Its IUPAC name is 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
PubChem CID2779657
Molecular FormulaC14H8Cl3FN2O2
Molecular Weight361.59 g/mol
Exact Mass359.96
IUPAC Name2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
SMILESO=C(Nc1ccc(Oc2ccccc2F)nc1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C14H8Cl3FN2O2/c15-12(13(16)17)14(21)20-8-5-6-11(19-7-8)22-10-4-2-1-3-9(10)18/h1-7H,(H,20,21)
InChIKeyOQVWUJGKPXKUKX-UHFFFAOYSA-N
XLogP4.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.59
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-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

2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
1-[6-(2-fluorophenoxy)-3-pyridinyl]-3-propan-2-ylurea
CID 42878509
6-(2-fluorophenoxy)pyridine-3-carbonyl chloride
CID 23148937
2-(2-chloro-6-fluorophenyl)-N-[6-(2,4-difluorophenoxy)-3-pyridinyl]acetamide
CID 154872994
ethyl 6-(2-fluorophenoxy)pyridine-3-carboxylate
CID 23148943
2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-2-(methylamino)phenyl]-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide
CID 166774219
2-(2-fluorophenoxy)-5-(trifluoromethyl)pyridine
CID 894987
1-[6-(2,4-difluorophenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878489
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122091824

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide (CID 2779657) is 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide is O=C(Nc1ccc(Oc2ccccc2F)nc1)C(Cl)=C(Cl)Cl.
What is the InChIKey of 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is OQVWUJGKPXKUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3FN2O2/c15-12(13(16)17)14(21)20-8-5-6-11(19-7-8)22-10-4-2-1-3-9(10)18/h1-7H,(H,20,21).
What are the key properties of 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide?
2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 361.59 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloro-N-[6-(2-fluorophenoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 2779657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).