1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea

C10H10ClFN2O — CID 108896615

IUPAC1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
SMILESO=C(Nc1c(F)cccc1Cl)NC1CC1
InChIInChI=1S/C10H10ClFN2O/c11-7-2-1-3-8(12)9(7)14-10(15)13-6-4-5-6/h1-3,6H,4-5H2,(H2,13,14,15)
InChIKeyRZOWBKNZMCGPNP-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.76
Rot. Bonds2

About 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea

1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea (PubChem CID 108896615) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
PubChem CID108896615
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea
SMILESO=C(Nc1c(F)cccc1Cl)NC1CC1
InChIInChI=1S/C10H10ClFN2O/c11-7-2-1-3-8(12)9(7)14-10(15)13-6-4-5-6/h1-3,6H,4-5H2,(H2,13,14,15)
InChIKeyRZOWBKNZMCGPNP-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cycloheptyl-3-(2,6-difluorophenyl)urea
CID 47132653
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
1-(2-chloro-6-fluorophenyl)-3-methylurea
CID 21161279
1-(2-bromo-6-fluorophenyl)-3-cyclopentylurea
CID 113252784
1-cyclobutyl-3-(2-fluoro-6-methylphenyl)urea
CID 104721687
1-(1-cyclopropylpiperidin-4-yl)-3-(2,6-difluorophenyl)urea
CID 86986878
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
3-[(2-chloro-6-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66252752
1-cyclopropyl-3-(2,4,6-trichlorophenyl)urea
CID 116654082
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)urea
CID 108896387
4-[(2,3-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61209411

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea (CID 108896615) is 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea is O=C(Nc1c(F)cccc1Cl)NC1CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea?
The InChIKey is RZOWBKNZMCGPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-7-2-1-3-8(12)9(7)14-10(15)13-6-4-5-6/h1-3,6H,4-5H2,(H2,13,14,15).
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea?
1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea has a molecular weight of 228.65 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-3-cyclopropylurea is sourced from PubChem (CID 108896615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).