1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea

C23H23FN2O3 — CID 55697541

IUPAC1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H23FN2O3/c1-28-15-18-7-5-17(6-8-18)14-25-23(27)26-21-3-2-4-22(13-21)29-16-19-9-11-20(24)12-10-19/h2-13H,14-16H2,1H3,(H2,25,26,27)
InChIKeyIFUCKZOYMCIFKJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.87
Rot. Bonds8

About 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea

1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea (PubChem CID 55697541) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
PubChem CID55697541
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea
SMILESCOCc1ccc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H23FN2O3/c1-28-15-18-7-5-17(6-8-18)14-25-23(27)26-21-3-2-4-22(13-21)29-16-19-9-11-20(24)12-10-19/h2-13H,14-16H2,1H3,(H2,25,26,27)
InChIKeyIFUCKZOYMCIFKJ-UHFFFAOYSA-N
XLogP4.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 51082657
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-[3-[(4-fluorophenyl)methoxy]phenyl]urea
CID 56520326
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 108988928
1-[(4-methoxyphenyl)methyl]-3-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]urea
CID 1243878
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86988466
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134020920
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-[3-(difluoromethoxy)phenyl]-3-[[4-(difluoromethoxy)phenyl]methyl]urea
CID 55738771
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
1-(3-fluorophenyl)-3-[(4-methylphenyl)methyl]urea
CID 47154197

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea (CID 55697541) is 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea is COCc1ccc(CNC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
The InChIKey is IFUCKZOYMCIFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-28-15-18-7-5-17(6-8-18)14-25-23(27)26-21-3-2-4-22(13-21)29-16-19-9-11-20(24)12-10-19/h2-13H,14-16H2,1H3,(H2,25,26,27).
What are the key properties of 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea?
1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea has a molecular weight of 394.45 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-fluorophenyl)methoxy]phenyl]-3-[[4-(methoxymethyl)phenyl]methyl]urea is sourced from PubChem (CID 55697541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).