(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide

C13H15BrN2O2 — CID 903165

IUPAC(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NN1CCOCC1
InChIInChI=1S/C13H15BrN2O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-6H,7-10H2,(H,15,17)/b6-3+
InChIKeyGJAIGEPWYLNNEU-ZZXKWVIFSA-N
MW311.18 g/mol
LogP1.83
Rot. Bonds3

About (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide

(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide (PubChem CID 903165) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
PubChem CID903165
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(Br)cc1)NN1CCOCC1
InChIInChI=1S/C13H15BrN2O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-6H,7-10H2,(H,15,17)/b6-3+
InChIKeyGJAIGEPWYLNNEU-ZZXKWVIFSA-N
XLogP1.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.83
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

3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 5104066
(E)-3-(4-methoxyphenyl)-N-morpholin-4-ylprop-2-enamide
CID 6271180
N-morpholin-4-yl-3-thiophen-2-ylprop-2-enamide
CID 903687
(E)-N-(morpholin-4-ylcarbamothioyl)-3-phenylprop-2-enamide
CID 31196599
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
(E)-1-(4-bromophenyl)-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8685378
(E)-N-(morpholin-4-ylcarbamothioyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 840359
(E)-3-(4-aminophenyl)-N-piperidin-1-ylprop-2-enamide
CID 83021636
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325
(E)-3-(3-bromophenyl)-N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 9205098
4-[3-(4-bromophenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 77073541
N-morpholin-4-yl-2-oxoacetamide
CID 18449823

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide (CID 903165) is (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide is O=C(/C=C/c1ccc(Br)cc1)NN1CCOCC1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide?
The InChIKey is GJAIGEPWYLNNEU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c14-12-4-1-11(2-5-12)3-6-13(17)15-16-7-9-18-10-8-16/h1-6H,7-10H2,(H,15,17)/b6-3+.
What are the key properties of (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide has a molecular weight of 311.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 903165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).