3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

C15H17FN2O3 — CID 90582835

IUPAC3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c1-20-9-7-18(10-12-6-8-21-11-12)15(19)17-14-4-2-13(16)3-5-14/h2-6,8,11H,7,9-10H2,1H3,(H,17,19)
InChIKeyCCAVFJJKADDKPZ-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.10
Rot. Bonds6

About 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 90582835) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID90582835
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O3/c1-20-9-7-18(10-12-6-8-21-11-12)15(19)17-14-4-2-13(16)3-5-14/h2-6,8,11H,7,9-10H2,1H3,(H,17,19)
InChIKeyCCAVFJJKADDKPZ-UHFFFAOYSA-N
XLogP3.10
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylphenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582837
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582843
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 73167845
N-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 22660909
1-benzyl-3-(4-fluorophenyl)-1-(2-methoxyethyl)thiourea
CID 7967857
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90582750
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)cyclohex-3-ene-1-carboxamide
CID 71803992
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-nitrobenzamide
CID 90582669
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
1,1-bis(2-methoxyethyl)-3-(4-phenylphenyl)urea
CID 108867129

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (CID 90582835) is 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccoc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is CCAVFJJKADDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-20-9-7-18(10-12-6-8-21-11-12)15(19)17-14-4-2-13(16)3-5-14/h2-6,8,11H,7,9-10H2,1H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 292.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 90582835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).