3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

C17H21ClN2O4 — CID 87008094

IUPAC3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C17H21ClN2O4/c1-22-9-7-20(12-15-4-3-8-24-15)17(21)19-11-13-10-14(18)5-6-16(13)23-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,21)
InChIKeyNRWRTFIHSMLDLM-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.30
Rot. Bonds8

About 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea

3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (PubChem CID 87008094) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
PubChem CID87008094
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
SMILESCOCCN(Cc1ccco1)C(=O)NCc1cc(Cl)ccc1OC
InChIInChI=1S/C17H21ClN2O4/c1-22-9-7-20(12-15-4-3-8-24-15)17(21)19-11-13-10-14(18)5-6-16(13)23-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,21)
InChIKeyNRWRTFIHSMLDLM-UHFFFAOYSA-N
XLogP3.30
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-(3-methylbutyl)urea
CID 86999017
3-(1-adamantylmethyl)-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86999398
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9136719
3-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 87000370
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(furan-2-yl)ethanamine
CID 60695369
3-[(3-cyclohexyloxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea
CID 86943873
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
2-[(2,6-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 4619610
1-(furan-2-ylmethyl)-1-(2-methoxyethyl)-3-[1-(2-methylphenyl)ethyl]urea
CID 86998774
N-[(5-chloro-2-methoxyphenyl)methyl]carbamoyl bromide
CID 115193549
[4-chloro-2-[[ethylcarbamoyl(furan-2-ylmethyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 42812230
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea (CID 87008094) is 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is COCCN(Cc1ccco1)C(=O)NCc1cc(Cl)ccc1OC.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
The InChIKey is NRWRTFIHSMLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-22-9-7-20(12-15-4-3-8-24-15)17(21)19-11-13-10-14(18)5-6-16(13)23-2/h3-6,8,10H,7,9,11-12H2,1-2H3,(H,19,21).
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea?
3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea has a molecular weight of 352.82 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-methoxyethyl)urea is sourced from PubChem (CID 87008094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).