3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

C15H17ClN2O3 — CID 90582843

IUPAC3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-20-8-6-18(10-12-5-7-21-11-12)15(19)17-14-4-2-3-13(16)9-14/h2-5,7,9,11H,6,8,10H2,1H3,(H,17,19)
InChIKeyHWNOPMREGVNGHD-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.61
Rot. Bonds6

About 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea

3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 90582843) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID90582843
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccoc1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H17ClN2O3/c1-20-8-6-18(10-12-5-7-21-11-12)15(19)17-14-4-2-3-13(16)9-14/h2-5,7,9,11H,6,8,10H2,1H3,(H,17,19)
InChIKeyHWNOPMREGVNGHD-UHFFFAOYSA-N
XLogP3.61
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.61
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-thiophen-2-ylethyl)urea
CID 90583396
3-(4-fluorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea
CID 90582835
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
1-(furan-3-ylmethyl)-1-(2-methoxyethyl)-3-thiophen-2-ylurea
CID 71804034
2,5-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582703
2,4-dichloro-N-(furan-3-ylmethyl)-N-(2-methoxyethyl)benzamide
CID 90582704
2-[[(3-chlorophenyl)carbamoyl-(2-methoxyethyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 7144729
1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-ethylphenyl)-1-(2-methoxyethyl)urea
CID 3605079
1-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea
CID 5014613
2-[(3-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 42768077
1-(furan-3-ylmethyl)-3-(3-methylphenyl)-1-(2-thiophen-2-ylethyl)urea
CID 90583385

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea (CID 90582843) is 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccoc1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is HWNOPMREGVNGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-20-8-6-18(10-12-5-7-21-11-12)15(19)17-14-4-2-3-13(16)9-14/h2-5,7,9,11H,6,8,10H2,1H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea?
3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 308.77 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(furan-3-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 90582843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).