(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

C19H19ClN2O2 — CID 6213128

IUPAC(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-18-4-2-1-3-15(18)5-10-19(23)21-16-6-8-17(9-7-16)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23)/b10-5+
InChIKeyGYXSLPMOASRROA-BJMVGYQFSA-N
MW342.83 g/mol
LogP3.83
Rot. Bonds4

About (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 6213128) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID6213128
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H19ClN2O2/c20-18-4-2-1-3-15(18)5-10-19(23)21-16-6-8-17(9-7-16)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23)/b10-5+
InChIKeyGYXSLPMOASRROA-BJMVGYQFSA-N
XLogP3.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 100508734
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
N-(4-morpholin-4-ylphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4095390
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(E)-3-(2-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 895562
3-(2-chlorophenyl)-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 3529783
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-3-(2-fluorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enamide
CID 30857317
(E)-3-(2-chlorophenyl)-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]prop-2-enamide
CID 108763700
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide (CID 6213128) is (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is GYXSLPMOASRROA-BJMVGYQFSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-18-4-2-1-3-15(18)5-10-19(23)21-16-6-8-17(9-7-16)22-11-13-24-14-12-22/h1-10H,11-14H2,(H,21,23)/b10-5+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 342.83 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 6213128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).