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

C14H10BrClN2O — CID 102820557

IUPAC(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrClN2O/c15-11-7-8-17-13(9-11)18-14(19)6-3-10-1-4-12(16)5-2-10/h1-9H,(H,17,18,19)/b6-3+
InChIKeyIULCWBIKKYLBTN-ZZXKWVIFSA-N
MW337.60 g/mol
LogP4.15
Rot. Bonds3

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

(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (PubChem CID 102820557) has the molecular formula C14H10BrClN2O and a molecular weight of 337.60 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
PubChem CID102820557
Molecular FormulaC14H10BrClN2O
Molecular Weight337.60 g/mol
Exact Mass335.97
IUPAC Name(E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)ccn1
InChIInChI=1S/C14H10BrClN2O/c15-11-7-8-17-13(9-11)18-14(19)6-3-10-1-4-12(16)5-2-10/h1-9H,(H,17,18,19)/b6-3+
InChIKeyIULCWBIKKYLBTN-ZZXKWVIFSA-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'}

Analyze (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(4-bromo-2-pyridinyl)-3-phenylprop-2-enamide
CID 102820533
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)-3-(4-chlorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)prop-2-enamide
CID 55028215
2-[3-(3-bromophenyl)prop-2-enoylamino]pyridine-4-carboxylic acid
CID 77037440
(E)-3-(4-chlorophenyl)-N-(4-chloropyrimidin-2-yl)prop-2-enamide
CID 114052558
(E)-N-(5-bromo-6-methyl-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide
CID 6134268
(E)-N-(5-bromo-2-oxo-1H-pyridin-3-yl)-3-(4-chlorophenyl)prop-2-enamide
CID 84559751
(E)-N-(4-bromo-2-pyridinyl)-3-(2-nitrophenyl)prop-2-enamide
CID 102820535
N-[(5-bromo-2-pyridinyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 1345680
3-(3-chlorophenyl)-N-pyridin-2-ylprop-2-enamide
CID 4677727
N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide (CID 102820557) is (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)ccn1.
What is the InChIKey of (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
The InChIKey is IULCWBIKKYLBTN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C14H10BrClN2O/c15-11-7-8-17-13(9-11)18-14(19)6-3-10-1-4-12(16)5-2-10/h1-9H,(H,17,18,19)/b6-3+.
What are the key properties of (E)-N-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide?
(E)-N-(4-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-(4-bromo-2-pyridinyl)-3-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 102820557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).