N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide

C21H23FN2O4 — CID 27453070

IUPACN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C21H23FN2O4/c1-27-18-8-6-17(7-9-18)24-20(26)19(25)23-14-21(10-12-28-13-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRHQJYZBAPOCDO-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.64
Rot. Bonds5

About N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide

N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 27453070) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID27453070
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC NameN-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1
InChIInChI=1S/C21H23FN2O4/c1-27-18-8-6-17(7-9-18)24-20(26)19(25)23-14-21(10-12-28-13-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26)
InChIKeyDRHQJYZBAPOCDO-UHFFFAOYSA-N
XLogP2.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 27452245
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 27453183
N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
N'-(4-ethylphenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335602
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N'-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 27453065
N'-(3,4-difluorophenyl)-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]oxamide
CID 42335594
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide (CID 27453070) is N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCC2(c3ccc(F)cc3)CCOCC2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is DRHQJYZBAPOCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-27-18-8-6-17(7-9-18)24-20(26)19(25)23-14-21(10-12-28-13-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide?
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 386.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 27453070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).