N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide

C21H25FN2O4 — CID 2439401

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H25FN2O4/c1-3-27-19-14-18(24-9-11-26-12-10-24)20(28-4-2)13-17(19)23-21(25)15-7-5-6-8-16(15)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,25)
InChIKeyUQFTXODXFOUAPM-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.71
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide (PubChem CID 2439401) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
PubChem CID2439401
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C21H25FN2O4/c1-3-27-19-14-18(24-9-11-26-12-10-24)20(28-4-2)13-17(19)23-21(25)15-7-5-6-8-16(15)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,25)
InChIKeyUQFTXODXFOUAPM-UHFFFAOYSA-N
XLogP3.71
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.71
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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)naphthalene-1-carboxamide
CID 9079458
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
CID 3686444
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
2-O-[2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506026
(3R)-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 41030803
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
CID 22830164
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-phenylpropanamide
CID 18209443
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide (CID 2439401) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1F.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide?
The InChIKey is UQFTXODXFOUAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-3-27-19-14-18(24-9-11-26-12-10-24)20(28-4-2)13-17(19)23-21(25)15-7-5-6-8-16(15)22/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide has a molecular weight of 388.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-fluorobenzamide is sourced from PubChem (CID 2439401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).