2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

C22H21ClN2O3 — CID 1001855

IUPAC2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3/c23-19-11-5-4-10-18(19)21(26)24-20(22(27)25-13-15-28-16-14-25)12-6-9-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)/b9-6+,20-12+
InChIKeyXTZXLBNOFAKMDA-XCHVBMRISA-N
MW396.87 g/mol
LogP3.53
Rot. Bonds5

About 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 1001855) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID1001855
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESO=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl
InChIInChI=1S/C22H21ClN2O3/c23-19-11-5-4-10-18(19)21(26)24-20(22(27)25-13-15-28-16-14-25)12-6-9-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)/b9-6+,20-12+
InChIKeyXTZXLBNOFAKMDA-XCHVBMRISA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide 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

Moclobemide
CID 4235
Fominoben
CID 3407
4-Chloro-N-(3-(4-morpholinyl)propyl)benzamide
CID 65659
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
4-(2-Chlorobenzoyl)-morpholine
CID 225451
4-chloro-N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]benzenecarboxamide
CID 3554910
2,5-dichloro-N-(2-morpholin-4-ylethyl)benzamide
CID 567688
2-chloro-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 799090
Benzamide, N-(2-phenyl-1-(1-piperidinylcarbonyl)ethenyl)-, (E)-
CID 781134
Benzamide, N-(2-(2-chlorophenyl)-1-(4-morpholinylcarbonyl)ethenyl)-, (E)-
CID 1711976
N-[1-(2-Morpholin-4-yl-ethylcarbamoyl)-2-phenyl-vinyl]-benzamide
CID 2873163
2,5-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 2162726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 1001855) is 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is XTZXLBNOFAKMDA-XCHVBMRISA-N. The full InChI is InChI=1S/C22H21ClN2O3/c23-19-11-5-4-10-18(19)21(26)24-20(22(27)25-13-15-28-16-14-25)12-6-9-17-7-2-1-3-8-17/h1-12H,13-16H2,(H,24,26)/b9-6+,20-12+.
What are the key properties of 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 396.87 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2E,4E)-1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 1001855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).