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

C19H20Cl2N2O3 — CID 113214892

IUPAC1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C19H20Cl2N2O3/c1-25-15-7-6-12(10-16(15)26-2)19(8-9-19)11-22-18(24)23-14-5-3-4-13(20)17(14)21/h3-7,10H,8-9,11H2,1-2H3,(H2,22,23,24)
InChIKeyWOCAEJQXANBOKZ-UHFFFAOYSA-N
MW395.29 g/mol
LogP4.86
Rot. Bonds6

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

1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea (PubChem CID 113214892) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
PubChem CID113214892
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC Name1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
SMILESCOc1ccc(C2(CNC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C19H20Cl2N2O3/c1-25-15-7-6-12(10-16(15)26-2)19(8-9-19)11-22-18(24)23-14-5-3-4-13(20)17(14)21/h3-7,10H,8-9,11H2,1-2H3,(H2,22,23,24)
InChIKeyWOCAEJQXANBOKZ-UHFFFAOYSA-N
XLogP4.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea with MolForge

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Related Compounds

1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
1-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214884
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213943
4-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzamide
CID 110442796
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-2-methylbenzamide
CID 113090881
1-[[3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]sulfanyl]-3-(2,3-dichlorophenyl)urea
CID 87979411
1-(2,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214737
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
CID 1296628
1-(2,3-dichlorophenyl)-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936237

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea (CID 113214892) is 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea is COc1ccc(C2(CNC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea?
The InChIKey is WOCAEJQXANBOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-25-15-7-6-12(10-16(15)26-2)19(8-9-19)11-22-18(24)23-14-5-3-4-13(20)17(14)21/h3-7,10H,8-9,11H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea?
1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea has a molecular weight of 395.29 g/mol, XLogP of 4.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea is sourced from PubChem (CID 113214892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).