1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea

C8H7BrClFN2O — CID 21161250

IUPAC1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C8H7BrClFN2O/c1-12-8(14)13-7-5(10)2-4(9)3-6(7)11/h2-3H,1H3,(H2,12,13,14)
InChIKeyPWMUNZILHXMYDL-UHFFFAOYSA-N
MW281.51 g/mol
LogP2.99
Rot. Bonds1

About 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea

1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea (PubChem CID 21161250) has the molecular formula C8H7BrClFN2O and a molecular weight of 281.51 g/mol. Its IUPAC name is 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea.

Molecular Properties

Compound Name1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea
PubChem CID21161250
Molecular FormulaC8H7BrClFN2O
Molecular Weight281.51 g/mol
Exact Mass279.94
IUPAC Name1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea
SMILESCNC(=O)Nc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C8H7BrClFN2O/c1-12-8(14)13-7-5(10)2-4(9)3-6(7)11/h2-3H,1H3,(H2,12,13,14)
InChIKeyPWMUNZILHXMYDL-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Mls000756417
CID 302780
N-(4-bromo-2-chlorophenyl)-N'-cyclopropylurea
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N-(4-bromo-2-chlorophenyl)-N'-(3-methoxypropyl)urea
CID 2211253
N-allyl-N'-(4-bromo-2-chlorophenyl)urea
CID 6464536
N-(4-bromo-2-chloro-6-fluorophenyl)acetamide
CID 19810890
4-bromo-2-chloro-6-fluoro-N-methylaniline
CID 21161243
1-(4-Bromo-2-chloro-6-fluorophenyl)-3-(diaminomethylidene)-1-methylurea
CID 21161259
1-(2-Chloro-6-fluorophenyl)-3-methylurea
CID 21161279
1-(2,6-Dichloro-4-fluorophenyl)-3-methylurea
CID 21161322
1-(4-Bromo-2-chloro-6-fluorophenyl)-3-(diaminomethylidene)urea
CID 21161410

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea?
The IUPAC name of 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea (CID 21161250) is 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea.
What is the SMILES notation for 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea?
The canonical SMILES for 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea is CNC(=O)Nc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea?
The InChIKey is PWMUNZILHXMYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFN2O/c1-12-8(14)13-7-5(10)2-4(9)3-6(7)11/h2-3H,1H3,(H2,12,13,14).
What are the key properties of 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea?
1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea has a molecular weight of 281.51 g/mol, XLogP of 2.99, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chloro-6-fluorophenyl)-3-methylurea is sourced from PubChem (CID 21161250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).