(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide

C9H6Cl2FNO — CID 131235842

IUPAC(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2FNO/c10-6-2-3-7(12)5(9(6)11)1-4-8(13)14/h1-4H,(H2,13,14)/b4-1+
InChIKeyZHBSEPOGKWQKQL-DAFODLJHSA-N
MW234.06 g/mol
LogP2.63
Rot. Bonds2

About (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide

(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide (PubChem CID 131235842) has the molecular formula C9H6Cl2FNO and a molecular weight of 234.06 g/mol. Its IUPAC name is (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide
PubChem CID131235842
Molecular FormulaC9H6Cl2FNO
Molecular Weight234.06 g/mol
Exact Mass232.98
IUPAC Name(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide
SMILESNC(=O)/C=C/c1c(F)ccc(Cl)c1Cl
InChIInChI=1S/C9H6Cl2FNO/c10-6-2-3-7(12)5(9(6)11)1-4-8(13)14/h1-4H,(H2,13,14)/b4-1+
InChIKeyZHBSEPOGKWQKQL-DAFODLJHSA-N
XLogP2.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-3-(3,4-dichlorophenyl)-N-hydroxyprop-2-enamide
CID 11572177
(E)-3-(2-chlorophenyl)prop-2-enamide
CID 966069
o-Chlorocinnamamide
CID 966068
3-(3,4-Dichloro-phenyl)-acrylamide
CID 54534066
(E)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 19347566
(E)-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 19347585
(2E)-3-(3-chloro-4-fluorophenyl)prop-2-enamide
CID 19347599
(E)-3-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 22242084
(E)-3-(4-chloro-3-fluorophenyl)-2-propenamide
CID 22259286
[(E)-3-(3-chloro-2-fluorophenyl)prop-2-enoyl]-oxidoazanium
CID 23364575
3-(3-Chloro-2-fluorophenyl)prop-2-enamide
CID 53874362
3-(4-Chloro-2-fluorophenyl)prop-2-enamide
CID 69113149

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide (CID 131235842) is (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide is NC(=O)/C=C/c1c(F)ccc(Cl)c1Cl.
What is the InChIKey of (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide?
The InChIKey is ZHBSEPOGKWQKQL-DAFODLJHSA-N. The full InChI is InChI=1S/C9H6Cl2FNO/c10-6-2-3-7(12)5(9(6)11)1-4-8(13)14/h1-4H,(H2,13,14)/b4-1+.
What are the key properties of (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide?
(E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide has a molecular weight of 234.06 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dichloro-6-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 131235842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).