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

C15H10BrCl2NO — CID 1290272

IUPAC(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl2NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-7-6-12(17)9-13(14)18/h1-9H,(H,19,20)/b8-3+
InChIKeyXTHBBVLYWZOBPZ-FPYGCLRLSA-N
MW371.06 g/mol
LogP5.41
Rot. Bonds3

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

(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 1290272) has the molecular formula C15H10BrCl2NO and a molecular weight of 371.06 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID1290272
Molecular FormulaC15H10BrCl2NO
Molecular Weight371.06 g/mol
Exact Mass368.93
IUPAC Name(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10BrCl2NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-7-6-12(17)9-13(14)18/h1-9H,(H,19,20)/b8-3+
InChIKeyXTHBBVLYWZOBPZ-FPYGCLRLSA-N
XLogP5.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.06
LogP ≤ 55.41
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

2-[3-(4-bromophenyl)prop-2-enoylamino]-4-chlorobenzoic acid
CID 54565649
(E)-N-(2,4-dichlorophenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 31244745
3-(4-chlorophenyl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 3324390
(E)-3-(4-chlorophenyl)-N-[(2,4-dichlorophenyl)carbamothioyl]prop-2-enamide
CID 2209824
3-(4-butoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4088773
methyl 5-bromo-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 19168705
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-N-(2-bromo-5-chlorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 81271763
(E)-N-(4-bromo-2-methylphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1325728
(E)-N-(4-bromo-2-chlorophenyl)-3-(3,5-dimethoxyphenyl)prop-2-enamide
CID 26705873
N-(5-bromo-2-methoxyphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 76890359
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 4256749

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide (CID 1290272) is (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is XTHBBVLYWZOBPZ-FPYGCLRLSA-N. The full InChI is InChI=1S/C15H10BrCl2NO/c16-11-4-1-10(2-5-11)3-8-15(20)19-14-7-6-12(17)9-13(14)18/h1-9H,(H,19,20)/b8-3+.
What are the key properties of (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide?
(E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 371.06 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 1290272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).