1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

C16H20ClFN2O3 — CID 84600105

IUPAC1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)NC2CC2c2c(F)cccc2Cl)OCCO1
InChIInChI=1S/C16H20ClFN2O3/c1-16(22-7-8-23-16)5-6-19-15(21)20-13-9-10(13)14-11(17)3-2-4-12(14)18/h2-4,10,13H,5-9H2,1H3,(H2,19,20,21)
InChIKeySGQCROLPQZSPMV-UHFFFAOYSA-N
MW342.80 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea

1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (PubChem CID 84600105) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
PubChem CID84600105
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea
SMILESCC1(CCNC(=O)NC2CC2c2c(F)cccc2Cl)OCCO1
InChIInChI=1S/C16H20ClFN2O3/c1-16(22-7-8-23-16)5-6-19-15(21)20-13-9-10(13)14-11(17)3-2-4-12(14)18/h2-4,10,13H,5-9H2,1H3,(H2,19,20,21)
InChIKeySGQCROLPQZSPMV-UHFFFAOYSA-N
XLogP2.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea (CID 84600105) is 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is CC1(CCNC(=O)NC2CC2c2c(F)cccc2Cl)OCCO1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
The InChIKey is SGQCROLPQZSPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c1-16(22-7-8-23-16)5-6-19-15(21)20-13-9-10(13)14-11(17)3-2-4-12(14)18/h2-4,10,13H,5-9H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea?
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea has a molecular weight of 342.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]urea is sourced from PubChem (CID 84600105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).