1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

C18H18Cl2N2O2 — CID 113214739

IUPAC1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-16-4-2-12(3-5-16)18(6-7-18)11-21-17(23)22-15-9-13(19)8-14(20)10-15/h2-5,8-10H,6-7,11H2,1H3,(H2,21,22,23)
InChIKeyPNDYWMLJWQRUAM-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.86
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea

1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214739) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214739
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC Name1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1
InChIInChI=1S/C18H18Cl2N2O2/c1-24-16-4-2-12(3-5-16)18(6-7-18)11-21-17(23)22-15-9-13(19)8-14(20)10-15/h2-5,8-10H,6-7,11H2,1H3,(H2,21,22,23)
InChIKeyPNDYWMLJWQRUAM-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

Analyze 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
1-(4-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214748
1-(3-cyanophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214747
3-chloro-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]benzamide
CID 42265617
1-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-3-propylurea
CID 113214568
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
1-cyclopentyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214574
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
1,1-diethyl-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 110445113
1-[(4-fluorophenyl)methyl]-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214597
1-(3-chloro-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175721828

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea (CID 113214739) is 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3cc(Cl)cc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is PNDYWMLJWQRUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-24-16-4-2-12(3-5-16)18(6-7-18)11-21-17(23)22-15-9-13(19)8-14(20)10-15/h2-5,8-10H,6-7,11H2,1H3,(H2,21,22,23).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea?
1-(3,5-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-(3,5-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).