1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea

C20H23FN2O3 — CID 47071711

IUPAC1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C20H23FN2O3/c1-25-16-8-6-15(7-9-16)20(10-12-26-13-11-20)14-22-19(24)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H2,22,23,24)
InChIKeyGHFVERVZDDSQAQ-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.70
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea

1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea (PubChem CID 47071711) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
PubChem CID47071711
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C20H23FN2O3/c1-25-16-8-6-15(7-9-16)20(10-12-26-13-11-20)14-22-19(24)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H2,22,23,24)
InChIKeyGHFVERVZDDSQAQ-UHFFFAOYSA-N
XLogP3.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-methoxyphenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 7647050
N'-(2-chlorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 27452218
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
N-(2-fluorophenyl)-3-[1-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 45371178
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915
3-amino-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119749994
2-[[4-(4-chlorophenyl)oxan-4-yl]methylamino]-N-(2-fluorophenyl)propanamide
CID 47487314
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea (CID 47071711) is 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea?
The InChIKey is GHFVERVZDDSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-16-8-6-15(7-9-16)20(10-12-26-13-11-20)14-22-19(24)23-18-5-3-2-4-17(18)21/h2-9H,10-14H2,1H3,(H2,22,23,24).
What are the key properties of 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea?
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea has a molecular weight of 358.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea is sourced from PubChem (CID 47071711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).