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

C22H26F2N2O5 — CID 22830164

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H26F2N2O5/c1-3-29-19-14-18(26-8-10-28-11-9-26)20(30-4-2)13-17(19)25-21(27)15-6-5-7-16(12-15)31-22(23)24/h5-7,12-14,22H,3-4,8-11H2,1-2H3,(H,25,27)
InChIKeyYETXMYOWIJJSSQ-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.17
Rot. Bonds9

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

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide (PubChem CID 22830164) has the molecular formula C22H26F2N2O5 and a molecular weight of 436.46 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
PubChem CID22830164
Molecular FormulaC22H26F2N2O5
Molecular Weight436.46 g/mol
Exact Mass436.18
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C22H26F2N2O5/c1-3-29-19-14-18(26-8-10-28-11-9-26)20(30-4-2)13-17(19)25-21(27)15-6-5-7-16(12-15)31-22(23)24/h5-7,12-14,22H,3-4,8-11H2,1-2H3,(H,25,27)
InChIKeyYETXMYOWIJJSSQ-UHFFFAOYSA-N
XLogP4.17
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.17
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)-3-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108792595
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
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-phenoxypropanamide
CID 3450203
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-[1-(2,5-diethoxy-4-morpholin-4-ylanilino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 55345333
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023801
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 98419948
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-benzofuran-2-carboxamide
CID 4800357
ethyl 4-morpholin-4-yl-3-[(3-propan-2-yloxybenzoyl)amino]benzoate
CID 16740402
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2-[(4-fluorophenyl)methoxy]benzamide
CID 5126230

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide (CID 22830164) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide?
The InChIKey is YETXMYOWIJJSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O5/c1-3-29-19-14-18(26-8-10-28-11-9-26)20(30-4-2)13-17(19)25-21(27)15-6-5-7-16(12-15)31-22(23)24/h5-7,12-14,22H,3-4,8-11H2,1-2H3,(H,25,27).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(difluoromethoxy)benzamide has a molecular weight of 436.46 g/mol, XLogP of 4.17, 9 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)-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 22830164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).