3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea

C19H21ClN2O4 — CID 60620419

IUPAC3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C(=O)Nc2cc(Cl)ccc2OC)C2CC2)ccc1O
InChIInChI=1S/C19H21ClN2O4/c1-25-17-8-4-13(20)10-15(17)21-19(24)22(14-5-6-14)11-12-3-7-16(23)18(9-12)26-2/h3-4,7-10,14,23H,5-6,11H2,1-2H3,(H,21,24)
InChIKeyFIZWHNJOYIIGDT-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.26
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea

3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea (PubChem CID 60620419) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
PubChem CID60620419
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
SMILESCOc1cc(CN(C(=O)Nc2cc(Cl)ccc2OC)C2CC2)ccc1O
InChIInChI=1S/C19H21ClN2O4/c1-25-17-8-4-13(20)10-15(17)21-19(24)22(14-5-6-14)11-12-3-7-16(23)18(9-12)26-2/h3-4,7-10,14,23H,5-6,11H2,1-2H3,(H,21,24)
InChIKeyFIZWHNJOYIIGDT-UHFFFAOYSA-N
XLogP4.26
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea with MolForge

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Related Compounds

3-(4-chloro-2-fluorophenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 60620097
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyphenyl)urea
CID 60577311
1-cyclopropyl-3-(2,4-difluorophenyl)-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea
CID 51092725
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(1,3-thiazol-2-yl)urea
CID 60576885
3-(5-chloro-2-methoxyphenyl)-1-(oxan-4-yl)-1-(thiophen-2-ylmethyl)urea
CID 90610830
1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)urea
CID 56576651
N-benzyl-2-(5-chloro-2-methoxyanilino)-N-cyclopropylacetamide
CID 60535262
ethyl 4-[[(5-chloro-2-methoxyphenyl)carbamoyl-cyclohexylamino]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 53008972
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
N-cyclopropyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-4,5-dimethylfuran-2-carboxamide
CID 75435107
1-benzyl-3-(2,5-dichlorophenyl)-1-(4-phenylcyclohexyl)urea
CID 19935194
N-(5-chloro-2-hydroxyphenyl)-2-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 15907399

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea (CID 60620419) is 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea is COc1cc(CN(C(=O)Nc2cc(Cl)ccc2OC)C2CC2)ccc1O.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
The InChIKey is FIZWHNJOYIIGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-25-17-8-4-13(20)10-15(17)21-19(24)22(14-5-6-14)11-12-3-7-16(23)18(9-12)26-2/h3-4,7-10,14,23H,5-6,11H2,1-2H3,(H,21,24).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea?
3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea has a molecular weight of 376.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-1-cyclopropyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]urea is sourced from PubChem (CID 60620419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).