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

C18H18Cl2N2O3 — CID 113215905

IUPAC1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C18H18Cl2N2O3/c1-24-14-7-6-11(10-15(14)25-2)18(8-9-18)22-17(23)21-13-5-3-4-12(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyFYBRYXGCFCNRJA-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.82
Rot. Bonds5

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

1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea (PubChem CID 113215905) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
PubChem CID113215905
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC
InChIInChI=1S/C18H18Cl2N2O3/c1-24-14-7-6-11(10-15(14)25-2)18(8-9-18)22-17(23)21-13-5-3-4-12(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H2,21,22,23)
InChIKeyFYBRYXGCFCNRJA-UHFFFAOYSA-N
XLogP4.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dichlorophenyl)-3-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]urea
CID 113214892
1-(2,3-dichlorophenyl)-3-[1-(3-pyridin-4-yloxyphenyl)cyclopropyl]urea
CID 10251199
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
methyl 2-[(2,3-dichlorophenyl)carbamoylamino]-4,5-dimethoxybenzoate
CID 1296628
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
CID 113215777
N-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 1324116
1-(2,3-dichlorophenyl)-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 41128760
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N-(2,3-dichlorophenyl)-4-methoxy-3-methylbenzamide
CID 18892517
1-(3-chloro-4-methoxyphenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]urea
CID 113216031
N-[1-(3,4-dimethoxyphenyl)cyclopropyl]-2-(4-methylphenyl)acetamide
CID 113091414

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea (CID 113215905) is 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea is COc1ccc(C2(NC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1OC.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea?
The InChIKey is FYBRYXGCFCNRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-24-14-7-6-11(10-15(14)25-2)18(8-9-18)22-17(23)21-13-5-3-4-12(19)16(13)20/h3-7,10H,8-9H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea?
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea has a molecular weight of 381.26 g/mol, XLogP of 4.82, 5 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]urea is sourced from PubChem (CID 113215905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).