(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide

C15H10Cl2FNO — CID 700919

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10Cl2FNO/c16-11-7-5-10(12(17)9-11)6-8-15(20)19-14-4-2-1-3-13(14)18/h1-9H,(H,19,20)/b8-6+
InChIKeyKAWZLZUCDCNOHH-SOFGYWHQSA-N
MW310.16 g/mol
LogP4.78
Rot. Bonds3

About (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide (PubChem CID 700919) has the molecular formula C15H10Cl2FNO and a molecular weight of 310.16 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
PubChem CID700919
Molecular FormulaC15H10Cl2FNO
Molecular Weight310.16 g/mol
Exact Mass309.01
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1F
InChIInChI=1S/C15H10Cl2FNO/c16-11-7-5-10(12(17)9-11)6-8-15(20)19-14-4-2-1-3-13(14)18/h1-9H,(H,19,20)/b8-6+
InChIKeyKAWZLZUCDCNOHH-SOFGYWHQSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-N-(4-amino-2-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 28867729
2-[(2,4-dichlorophenyl)methylidene]-N,N'-bis(2-fluorophenyl)propanediamide
CID 2374084
ethyl 2-[3-(2,4-dichlorophenyl)prop-2-enoylamino]benzoate
CID 4152083
3-(2,4-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 1318837
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-3-(2,4-dichlorophenyl)-N-[4-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]prop-2-enamide
CID 6015566

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide (CID 700919) is (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1F.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
The InChIKey is KAWZLZUCDCNOHH-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H10Cl2FNO/c16-11-7-5-10(12(17)9-11)6-8-15(20)19-14-4-2-1-3-13(14)18/h1-9H,(H,19,20)/b8-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide has a molecular weight of 310.16 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 700919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).