(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

C14H10BrClN2O — CID 800747

IUPAC(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19)/b8-3+
InChIKeyJSQZSISVCHYYPB-FPYGCLRLSA-N
MW337.60 g/mol
LogP4.15
Rot. Bonds3

About (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 800747) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID800747
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cn1
InChIInChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19)/b8-3+
InChIKeyJSQZSISVCHYYPB-FPYGCLRLSA-N
XLogP4.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (CID 800747) is (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Br)cn1.
What is the InChIKey of (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is JSQZSISVCHYYPB-FPYGCLRLSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-11-4-7-13(17-9-11)18-14(19)8-3-10-1-5-12(16)6-2-10/h1-9H,(H,17,18,19)/b8-3+.
What are the key properties of (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 337.60 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 800747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).