1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea

C10H12ClFN2O — CID 71924948

IUPAC1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(14-10(15)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyOAEHBJJGHUDDNM-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.47
Rot. Bonds2

About 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea

1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea (PubChem CID 71924948) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea
PubChem CID71924948
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)c1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFN2O/c1-6(14-10(15)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyOAEHBJJGHUDDNM-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea?
The IUPAC name of 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea (CID 71924948) is 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea?
The canonical SMILES for 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea is CNC(=O)NC(C)c1c(F)cccc1Cl.
What is the InChIKey of 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea?
The InChIKey is OAEHBJJGHUDDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c1-6(14-10(15)13-2)9-7(11)4-3-5-8(9)12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea?
1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea has a molecular weight of 230.67 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chloro-6-fluorophenyl)ethyl]-3-methylurea is sourced from PubChem (CID 71924948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).