(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide

C22H19BrN2O2 — CID 25246733

IUPAC(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)/C(=C\c1cccc(Br)c1)n1ccccc1=O
InChIInChI=1S/C22H19BrN2O2/c23-19-10-6-9-18(15-19)16-20(25-14-5-4-11-21(25)26)22(27)24-13-12-17-7-2-1-3-8-17/h1-11,14-16H,12-13H2,(H,24,27)/b20-16+
InChIKeyZOCXQVYNPWARJP-CAPFRKAQSA-N
MW423.31 g/mol
LogP3.97
Rot. Bonds6

About (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide

(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide (PubChem CID 25246733) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide
PubChem CID25246733
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC Name(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide
SMILESO=C(NCCc1ccccc1)/C(=C\c1cccc(Br)c1)n1ccccc1=O
InChIInChI=1S/C22H19BrN2O2/c23-19-10-6-9-18(15-19)16-20(25-14-5-4-11-21(25)26)22(27)24-13-12-17-7-2-1-3-8-17/h1-11,14-16H,12-13H2,(H,24,27)/b20-16+
InChIKeyZOCXQVYNPWARJP-CAPFRKAQSA-N
XLogP3.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 53.97
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

N-benzyl-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 5194201
3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 3584852
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
CID 6072315
1-[(3-bromophenyl)methyl]-3-(2-phenylethyl)urea
CID 60601402
2,3-diphenyl-N-(2-phenylethyl)prop-2-enamide
CID 2897013
2-[(3-bromophenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 30560974
1-[(E)-2-(3-bromophenyl)ethenyl]-3-(4-phenylbutyl)urea
CID 108907152
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
2-[(3,4-dihydroxyphenyl)methylidene]-N,N'-bis(2-phenylethyl)propanediamide
CID 2377632
(E)-2-cyano-3-(3-fluorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 773363
N-[1-(3-bromophenyl)-3-(3-hydroxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2887539

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide (CID 25246733) is (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide is O=C(NCCc1ccccc1)/C(=C\c1cccc(Br)c1)n1ccccc1=O.
What is the InChIKey of (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide?
The InChIKey is ZOCXQVYNPWARJP-CAPFRKAQSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c23-19-10-6-9-18(15-19)16-20(25-14-5-4-11-21(25)26)22(27)24-13-12-17-7-2-1-3-8-17/h1-11,14-16H,12-13H2,(H,24,27)/b20-16+.
What are the key properties of (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide?
(E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide has a molecular weight of 423.31 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-bromophenyl)-2-(2-oxo-1-pyridinyl)-N-(2-phenylethyl)prop-2-enamide is sourced from PubChem (CID 25246733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).