1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea

C18H21FN2O4 — CID 86988561

IUPAC1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)Nc2ccc(F)cc2OC)cc1
InChIInChI=1S/C18H21FN2O4/c1-23-9-10-25-15-6-3-13(4-7-15)12-20-18(22)21-16-8-5-14(19)11-17(16)24-2/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyVQNFNLRGEVJAPV-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.18
Rot. Bonds8

About 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea

1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea (PubChem CID 86988561) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
PubChem CID86988561
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
SMILESCOCCOc1ccc(CNC(=O)Nc2ccc(F)cc2OC)cc1
InChIInChI=1S/C18H21FN2O4/c1-23-9-10-25-15-6-3-13(4-7-15)12-20-18(22)21-16-8-5-14(19)11-17(16)24-2/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22)
InChIKeyVQNFNLRGEVJAPV-UHFFFAOYSA-N
XLogP3.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-(2,4-difluorophenyl)-3-[[4-(2-methoxyethylamino)phenyl]methyl]urea
CID 51100451
1-(4-butoxy-2-methylphenyl)-3-[(4-fluorophenyl)methyl]urea
CID 60554481
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
1-(2-ethoxyethyl)-3-(4-fluoro-2-methoxyphenyl)urea
CID 47248250
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]acetamide
CID 55662830
1-(2,4-difluorophenyl)-3-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 51579250
1-(4-fluoro-2-methoxyphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572987
1-(2-ethoxy-4-fluorophenyl)-3-(3-methoxypropyl)urea
CID 47237738
N-(4-fluoro-2-methoxyphenyl)-2-(2-phenoxyethoxy)acetamide
CID 86998252
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
1-[(4-fluorophenyl)methyl]-3-(2-propoxyphenyl)urea
CID 38197539

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea (CID 86988561) is 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea is COCCOc1ccc(CNC(=O)Nc2ccc(F)cc2OC)cc1.
What is the InChIKey of 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
The InChIKey is VQNFNLRGEVJAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-23-9-10-25-15-6-3-13(4-7-15)12-20-18(22)21-16-8-5-14(19)11-17(16)24-2/h3-8,11H,9-10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea?
1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea has a molecular weight of 348.37 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methoxyphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 86988561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).