(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

C15H9Cl3FNO — CID 6105621

IUPAC(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3FNO/c16-11-2-1-3-14(19)10(11)5-7-15(21)20-9-4-6-12(17)13(18)8-9/h1-8H,(H,20,21)/b7-5+
InChIKeyAMHPXMYXKVYEOH-FNORWQNLSA-N
MW344.60 g/mol
LogP5.44
Rot. Bonds3

About (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide

(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (PubChem CID 6105621) has the molecular formula C15H9Cl3FNO and a molecular weight of 344.60 g/mol. Its IUPAC name is (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
PubChem CID6105621
Molecular FormulaC15H9Cl3FNO
Molecular Weight344.60 g/mol
Exact Mass342.97
IUPAC Name(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl3FNO/c16-11-2-1-3-14(19)10(11)5-7-15(21)20-9-4-6-12(17)13(18)8-9/h1-8H,(H,20,21)/b7-5+
InChIKeyAMHPXMYXKVYEOH-FNORWQNLSA-N
XLogP5.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.60
LogP ≤ 55.44
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

(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
(E)-3-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-methylphenyl)prop-2-enamide
CID 6031428
3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 898451
(E)-N-(3-acetylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 896275
(E)-3-(2-chloro-6-fluorophenyl)-N-[6-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6165611
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 27666802
(E)-3-(2-chloro-6-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 6282671
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-N-(4-butan-2-ylphenyl)-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6282453
(E)-N-[4-(acetylsulfamoyl)phenyl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 6261465
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide (CID 6105621) is (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
The InChIKey is AMHPXMYXKVYEOH-FNORWQNLSA-N. The full InChI is InChI=1S/C15H9Cl3FNO/c16-11-2-1-3-14(19)10(11)5-7-15(21)20-9-4-6-12(17)13(18)8-9/h1-8H,(H,20,21)/b7-5+.
What are the key properties of (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide?
(E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide has a molecular weight of 344.60 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-6-fluorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 6105621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).