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

C15H9BrCl3NO — CID 21371931

IUPAC(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H9BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1-8H,(H,20,21)/b6-2+
InChIKeyPYDJATBULPHTLD-QHHAFSJGSA-N
MW405.51 g/mol
LogP6.06
Rot. Bonds3

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

(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 21371931) has the molecular formula C15H9BrCl3NO and a molecular weight of 405.51 g/mol. Its IUPAC name is (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID21371931
Molecular FormulaC15H9BrCl3NO
Molecular Weight405.51 g/mol
Exact Mass402.89
IUPAC Name(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1
InChIInChI=1S/C15H9BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1-8H,(H,20,21)/b6-2+
InChIKeyPYDJATBULPHTLD-QHHAFSJGSA-N
XLogP6.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-[3-[3-(2,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 3487324
(E)-3-(2,4-dichlorophenyl)-N-[4-[[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]methyl]phenyl]prop-2-enamide
CID 6184980
4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
CID 45426606
3-(2,4-dichlorophenyl)-N-pyridin-1-ium-4-ylprop-2-enamide
CID 4745023
(E)-3-(2,4-dichlorophenyl)-N-(4-methyl-3-sulfamoylphenyl)prop-2-enamide
CID 9140856
N-(3-chloro-4-piperidin-1-ylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 3449576
N-[4-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 1348173
(E)-3-(2,4-dichlorophenyl)-N-(3-fluorophenyl)prop-2-enamide
CID 872620
(E)-3-(2,4-dichlorophenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 6053257
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 4209207
(E)-3-(2,4-dichlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 6115822
3-(2,4-dichlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 868727

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide (CID 21371931) is (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1.
What is the InChIKey of (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is PYDJATBULPHTLD-QHHAFSJGSA-N. The full InChI is InChI=1S/C15H9BrCl3NO/c16-12-5-4-11(8-14(12)19)20-15(21)6-2-9-1-3-10(17)7-13(9)18/h1-8H,(H,20,21)/b6-2+.
What are the key properties of (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide?
(E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 405.51 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 21371931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).