(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide

C14H8BrCl2FN2O — CID 110495819

IUPAC(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ncc(F)cc1Br
InChIInChI=1S/C14H8BrCl2FN2O/c15-11-6-10(18)7-19-14(11)20-13(21)4-2-8-1-3-9(16)5-12(8)17/h1-7H,(H,19,20,21)/b4-2+
InChIKeyZAHWAPQCHIPWRH-DUXPYHPUSA-N
MW390.04 g/mol
LogP4.94
Rot. Bonds3

About (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide

(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 110495819) has the molecular formula C14H8BrCl2FN2O and a molecular weight of 390.04 g/mol. Its IUPAC name is (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID110495819
Molecular FormulaC14H8BrCl2FN2O
Molecular Weight390.04 g/mol
Exact Mass387.92
IUPAC Name(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ncc(F)cc1Br
InChIInChI=1S/C14H8BrCl2FN2O/c15-11-6-10(18)7-19-14(11)20-13(21)4-2-8-1-3-9(16)5-12(8)17/h1-7H,(H,19,20,21)/b4-2+
InChIKeyZAHWAPQCHIPWRH-DUXPYHPUSA-N
XLogP4.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.04
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 21371931
3-(2,4-dichlorophenyl)-N-pyrimidin-2-ylprop-2-enamide
CID 897133
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4209207
(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 110495829
3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
(E)-3-(2,4-dichlorophenyl)-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 6260356
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 110495819) is (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ncc(F)cc1Br.
What is the InChIKey of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is ZAHWAPQCHIPWRH-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H8BrCl2FN2O/c15-11-6-10(18)7-19-14(11)20-13(21)4-2-8-1-3-9(16)5-12(8)17/h1-7H,(H,19,20,21)/b4-2+.
What are the key properties of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 390.04 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 110495819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).