3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide

C21H24Cl2N2O4 — CID 4853152

IUPAC3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-3-28-19-13-18(25-7-9-27-10-8-25)20(29-4-2)12-17(19)24-21(26)14-5-6-15(22)16(23)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyNKAJAIWVQREDMO-UHFFFAOYSA-N
MW439.34 g/mol
LogP4.88
Rot. Bonds7

About 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide

3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide (PubChem CID 4853152) has the molecular formula C21H24Cl2N2O4 and a molecular weight of 439.34 g/mol. Its IUPAC name is 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
PubChem CID4853152
Molecular FormulaC21H24Cl2N2O4
Molecular Weight439.34 g/mol
Exact Mass438.11
IUPAC Name3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H24Cl2N2O4/c1-3-28-19-13-18(25-7-9-27-10-8-25)20(29-4-2)12-17(19)24-21(26)14-5-6-15(22)16(23)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyNKAJAIWVQREDMO-UHFFFAOYSA-N
XLogP4.88
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.34
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 26701955
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
4-(4-chlorophenyl)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-4-oxobutanamide
CID 26664489
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792595
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
CID 2439401
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-methylsulfanylacetamide
CID 9079407
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55645598
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 16539860

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide (CID 4853152) is 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
The InChIKey is NKAJAIWVQREDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O4/c1-3-28-19-13-18(25-7-9-27-10-8-25)20(29-4-2)12-17(19)24-21(26)14-5-6-15(22)16(23)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26).
What are the key properties of 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide?
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide has a molecular weight of 439.34 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 4853152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).