(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide

C15H12BrFN2O2 — CID 110495829

IUPAC(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ncc(F)cc2Br)c1
InChIInChI=1S/C15H12BrFN2O2/c1-21-12-4-2-3-10(7-12)5-6-14(20)19-15-13(16)8-11(17)9-18-15/h2-9H,1H3,(H,18,19,20)/b6-5+
InChIKeyFIGMAGLFLPWFBA-AATRIKPKSA-N
MW351.18 g/mol
LogP3.64
Rot. Bonds4

About (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 110495829) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID110495829
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ncc(F)cc2Br)c1
InChIInChI=1S/C15H12BrFN2O2/c1-21-12-4-2-3-10(7-12)5-6-14(20)19-15-13(16)8-11(17)9-18-15/h2-9H,1H3,(H,18,19,20)/b6-5+
InChIKeyFIGMAGLFLPWFBA-AATRIKPKSA-N
XLogP3.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2,4-difluorophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 2678857
3-(3-methoxyphenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide
CID 47177700
3-(3-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 4800856
(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 110495819
(E)-3-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2684281
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3560638
(E)-N-(2-aminophenyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 28867841
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 3565725
N-(2-bromo-5-methoxyphenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 76943432
(E)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 8797787
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
(E)-3-(3,5-dimethoxyphenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 9072399

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide (CID 110495829) is (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ncc(F)cc2Br)c1.
What is the InChIKey of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is FIGMAGLFLPWFBA-AATRIKPKSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-21-12-4-2-3-10(7-12)5-6-14(20)19-15-13(16)8-11(17)9-18-15/h2-9H,1H3,(H,18,19,20)/b6-5+.
What are the key properties of (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 351.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 110495829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).