(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide

C14H10BrClN2O2 — CID 84559751

IUPAC(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C14H10BrClN2O2/c15-10-7-12(14(20)17-8-10)18-13(19)6-3-9-1-4-11(16)5-2-9/h1-8H,(H,17,20)(H,18,19)/b6-3+
InChIKeyUFEPWCCWWMWCLH-ZZXKWVIFSA-N
MW353.60 g/mol
LogP3.44
Rot. Bonds3

About (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide

(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 84559751) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID84559751
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC Name(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O
InChIInChI=1S/C14H10BrClN2O2/c15-10-7-12(14(20)17-8-10)18-13(19)6-3-9-1-4-11(16)5-2-9/h1-8H,(H,17,20)(H,18,19)/b6-3+
InChIKeyUFEPWCCWWMWCLH-ZZXKWVIFSA-N
XLogP3.44
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 1290272
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 102820557
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649
methyl 5-bromo-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 19168705
N-(5-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 800746
N-(5-bromopyrazin-2-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 77072567
(E)-N-(2-amino-4-methylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867709
3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692427
(E)-3-(4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 692428

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide (CID 84559751) is (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)c[nH]c1=O.
What is the InChIKey of (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is UFEPWCCWWMWCLH-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-10-7-12(14(20)17-8-10)18-13(19)6-3-9-1-4-11(16)5-2-9/h1-8H,(H,17,20)(H,18,19)/b6-3+.
What are the key properties of (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide has a molecular weight of 353.60 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 84559751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).