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

C14H10BrFN2O — CID 103789430

IUPAC(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H10BrFN2O/c15-13-7-6-12(9-17-13)18-14(19)8-3-10-1-4-11(16)5-2-10/h1-9H,(H,18,19)/b8-3+
InChIKeyABHDWQDMLXYAPY-FPYGCLRLSA-N
MW321.15 g/mol
LogP3.64
Rot. Bonds3

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

(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 103789430) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID103789430
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name(E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)nc1
InChIInChI=1S/C14H10BrFN2O/c15-13-7-6-12(9-17-13)18-14(19)8-3-10-1-4-11(16)5-2-10/h1-9H,(H,18,19)/b8-3+
InChIKeyABHDWQDMLXYAPY-FPYGCLRLSA-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

(E)-N-(6-bromo-3-pyridinyl)-3-(4-nitrophenyl)prop-2-enamide
CID 103789272
(E)-3-(4-fluorophenyl)-N-[6-(2-hydroxyethylamino)-3-pyridinyl]prop-2-enamide
CID 28903698
N-(3,4-difluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 4695232
N-(6-bromo-3-pyridinyl)-4-fluorobenzamide
CID 44602373
(E)-N-(6-bromo-2-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide
CID 43520515
(E)-3-(4-fluorophenyl)-N-(4-pyrimidin-2-yloxyphenyl)prop-2-enamide
CID 47051327
3-(4-fluorophenyl)-N-(4-nitrophenyl)prop-2-enamide
CID 5235335
(E)-3-(4-methoxyphenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 2547662
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(4-nitrophenyl)prop-2-enamide
CID 55713791
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N,N-dimethylbenzamide
CID 7729326
(E)-3-(4-fluorophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide
CID 38175849
N-(4-fluorophenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791684

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide (CID 103789430) is (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(F)cc1)Nc1ccc(Br)nc1.
What is the InChIKey of (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is ABHDWQDMLXYAPY-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c15-13-7-6-12(9-17-13)18-14(19)8-3-10-1-4-11(16)5-2-10/h1-9H,(H,18,19)/b8-3+.
What are the key properties of (E)-N-(6-bromo-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-(6-bromo-3-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-3-pyridinyl)-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 103789430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).