N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide

C28H31FN2O5 — CID 5126230

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C28H31FN2O5/c1-3-34-26-18-24(31-13-15-33-16-14-31)27(35-4-2)17-23(26)30-28(32)22-7-5-6-8-25(22)36-19-20-9-11-21(29)12-10-20/h5-12,17-18H,3-4,13-16,19H2,1-2H3,(H,30,32)
InChIKeyARYAUUDZBMYDSB-UHFFFAOYSA-N
MW494.56 g/mol
LogP5.29
Rot. Bonds10

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide (PubChem CID 5126230) has the molecular formula C28H31FN2O5 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
PubChem CID5126230
Molecular FormulaC28H31FN2O5
Molecular Weight494.56 g/mol
Exact Mass494.22
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1OCc1ccc(F)cc1
InChIInChI=1S/C28H31FN2O5/c1-3-34-26-18-24(31-13-15-33-16-14-31)27(35-4-2)17-23(26)30-28(32)22-7-5-6-8-25(22)36-19-20-9-11-21(29)12-10-20/h5-12,17-18H,3-4,13-16,19H2,1-2H3,(H,30,32)
InChIKeyARYAUUDZBMYDSB-UHFFFAOYSA-N
XLogP5.29
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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)-5-fluoro-1H-indole-2-carboxamide
CID 39984626
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55764914
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-phenylpropanamide
CID 18209443
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4614512
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 2469347
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide (CID 5126230) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1OCc1ccc(F)cc1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
The InChIKey is ARYAUUDZBMYDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN2O5/c1-3-34-26-18-24(31-13-15-33-16-14-31)27(35-4-2)17-23(26)30-28(32)22-7-5-6-8-25(22)36-19-20-9-11-21(29)12-10-20/h5-12,17-18H,3-4,13-16,19H2,1-2H3,(H,30,32).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide has a molecular weight of 494.56 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide is sourced from PubChem (CID 5126230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).