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

C18H19FN2O3 — CID 113215891

IUPAC1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-15-7-6-12(10-16(15)24-2)18(8-9-18)21-17(22)20-14-5-3-4-13(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyXFLYEQHYPRVZOC-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.65
Rot. Bonds5

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

1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea (PubChem CID 113215891) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
PubChem CID113215891
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea
SMILESCOc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1OC
InChIInChI=1S/C18H19FN2O3/c1-23-15-7-6-12(10-16(15)24-2)18(8-9-18)21-17(22)20-14-5-3-4-13(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyXFLYEQHYPRVZOC-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-[(2-fluorophenyl)methyl]urea
CID 113215777
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108978469
1-[7a-(3,4-dimethoxyphenyl)-2-methyl-3,3a,4,5,6,7-hexahydro-1H-isoindol-5-yl]-3-(3-fluorophenyl)urea
CID 69440689
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
1-N-(3-fluorophenyl)-1-N'-(3,4,5-trimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983639
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
1-[(3aS,6S,7aR)-3a-(3,4-dimethoxyphenyl)-1-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3-fluorophenyl)urea
CID 91504440
1-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 1234744
5-[[1-(3-fluorophenyl)cyclopentyl]methylcarbamoylamino]-2-methoxybenzamide
CID 118791601

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea (CID 113215891) is 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea is COc1ccc(C2(NC(=O)Nc3cccc(F)c3)CC2)cc1OC.
What is the InChIKey of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea?
The InChIKey is XFLYEQHYPRVZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-15-7-6-12(10-16(15)24-2)18(8-9-18)21-17(22)20-14-5-3-4-13(19)11-14/h3-7,10-11H,8-9H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea?
1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea has a molecular weight of 330.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethoxyphenyl)cyclopropyl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 113215891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).