1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

C21H20ClN3O3 — CID 86862763

IUPAC1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-10-20(19(22)12-18)25-21(26)24-13-15-5-7-17(8-6-15)28-14-16-4-2-3-11-23-16/h2-12H,13-14H2,1H3,(H2,24,25,26)
InChIKeyRYEUTGVRXXWKOI-UHFFFAOYSA-N
MW397.86 g/mol
LogP4.64
Rot. Bonds7

About 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 86862763) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
PubChem CID86862763
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)c(Cl)c1
InChIInChI=1S/C21H20ClN3O3/c1-27-18-9-10-20(19(22)12-18)25-21(26)24-13-15-5-7-17(8-6-15)28-14-16-4-2-3-11-23-16/h2-12H,13-14H2,1H3,(H2,24,25,26)
InChIKeyRYEUTGVRXXWKOI-UHFFFAOYSA-N
XLogP4.64
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009605
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
1-(2-chloro-4-methoxyphenyl)-3-[(2-ethoxy-3-pyridinyl)methyl]urea
CID 86862849
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
3-(2-chloro-4-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86862798
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111251174

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 86862763) is 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is COc1ccc(NC(=O)NCc2ccc(OCc3ccccn3)cc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is RYEUTGVRXXWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-18-9-10-20(19(22)12-18)25-21(26)24-13-15-5-7-17(8-6-15)28-14-16-4-2-3-11-23-16/h2-12H,13-14H2,1H3,(H2,24,25,26).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 397.86 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 86862763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).