1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea

C11H13FN2O2 — CID 126785956

IUPAC1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
SMILESCOc1cccc(F)c1NC(=O)NC1CC1
InChIInChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(12)10(9)14-11(15)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H2,13,14,15)
InChIKeyVUXORBQPGTYVNV-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.12
Rot. Bonds3

About 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea

1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea (PubChem CID 126785956) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
PubChem CID126785956
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
SMILESCOc1cccc(F)c1NC(=O)NC1CC1
InChIInChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(12)10(9)14-11(15)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H2,13,14,15)
InChIKeyVUXORBQPGTYVNV-UHFFFAOYSA-N
XLogP2.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
CID 108896615
1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
4-[1-(2-fluoro-6-methoxyphenyl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122003838
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea (CID 126785956) is 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea is COc1cccc(F)c1NC(=O)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea?
The InChIKey is VUXORBQPGTYVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(12)10(9)14-11(15)13-7-5-6-7/h2-4,7H,5-6H2,1H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea?
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea has a molecular weight of 224.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea is sourced from PubChem (CID 126785956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).