1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea

C17H19FN2O2 — CID 90623223

IUPAC1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
SMILESCOC(CNC(=O)Nc1ccc(C)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-12-6-8-15(9-7-12)20-17(21)19-11-16(22-2)13-4-3-5-14(18)10-13/h3-10,16H,11H2,1-2H3,(H2,19,20,21)
InChIKeyADVXLVUVAUVYMX-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.64
Rot. Bonds5

About 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea

1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea (PubChem CID 90623223) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
PubChem CID90623223
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
SMILESCOC(CNC(=O)Nc1ccc(C)cc1)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-12-6-8-15(9-7-12)20-17(21)19-11-16(22-2)13-4-3-5-14(18)10-13/h3-10,16H,11H2,1-2H3,(H2,19,20,21)
InChIKeyADVXLVUVAUVYMX-UHFFFAOYSA-N
XLogP3.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 73168484
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623158
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 73168483
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
1-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-2-methoxyethyl]urea
CID 90623238
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea (CID 90623223) is 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea is COC(CNC(=O)Nc1ccc(C)cc1)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea?
The InChIKey is ADVXLVUVAUVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-6-8-15(9-7-12)20-17(21)19-11-16(22-2)13-4-3-5-14(18)10-13/h3-10,16H,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea?
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea has a molecular weight of 302.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 90623223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).