1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

C18H18Cl2N2O2 — CID 113214737

IUPAC1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-14-5-2-12(3-6-14)18(8-9-18)11-21-17(23)22-16-7-4-13(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyARESFFOKYBWNMR-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.86
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214737) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214737
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-14-5-2-12(3-6-14)18(8-9-18)11-21-17(23)22-16-7-4-13(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23)
InChIKeyARESFFOKYBWNMR-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214739
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(2,4-dimethoxyphenyl)-3-[(1-phenylcyclobutyl)methyl]urea
CID 113214996
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-[[1-(4-methoxyphenyl)cyclobutyl]methyl]-2-methylpropanamide
CID 110478485
1-(4-methoxy-2-nitrophenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 31075821
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 113214737) is 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is ARESFFOKYBWNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-14-5-2-12(3-6-14)18(8-9-18)11-21-17(23)22-16-7-4-13(19)10-15(16)20/h2-7,10H,8-9,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 365.26 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).