(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide

C14H10BrFN2O — CID 43520515

IUPAC(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(Br)n1
InChIInChI=1S/C14H10BrFN2O/c15-12-2-1-3-13(17-12)18-14(19)9-6-10-4-7-11(16)8-5-10/h1-9H,(H,17,18,19)/b9-6+
InChIKeyXFAORSQGNFJALG-RMKNXTFCSA-N
MW321.15 g/mol
LogP3.64
Rot. Bonds3

About (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide

(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 43520515) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID43520515
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1cccc(Br)n1
InChIInChI=1S/C14H10BrFN2O/c15-12-2-1-3-13(17-12)18-14(19)9-6-10-4-7-11(16)8-5-10/h1-9H,(H,17,18,19)/b9-6+
InChIKeyXFAORSQGNFJALG-RMKNXTFCSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenyl-N-[6-[[(Z)-3-phenylprop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 92904671
(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 103789430
N-(6-methyl-2-pyridinyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 5059127
3-(4-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)prop-2-enamide
CID 821621
N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
2-bromo-N-(6-bromo-2-pyridinyl)-5-fluorobenzamide
CID 43520358
N-(6-bromo-2-pyridinyl)-2,5-difluorobenzamide
CID 43520386
3-(4-fluorophenyl)-N-(2-methylquinolin-8-yl)prop-2-enamide
CID 72685075
(E)-3-(4-fluorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 875151
N-(2-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 875066
3-(4-fluorophenyl)-N-(2-methylsulfanylphenyl)prop-2-enamide
CID 4798657

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide (CID 43520515) is (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1cccc(Br)n1.
What is the InChIKey of (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is XFAORSQGNFJALG-RMKNXTFCSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-12-2-1-3-13(17-12)18-14(19)9-6-10-4-7-11(16)8-5-10/h1-9H,(H,17,18,19)/b9-6+.
What are the key properties of (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 321.15 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 43520515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).