(2-bromo-6-fluoro-4-methylphenyl)urea

C8H8BrFN2O — CID 141173640

IUPAC(2-bromo-6-fluoro-4-methylphenyl)urea
SMILESCc1cc(F)c(NC(N)=O)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyRNSBFWFKCSRZKM-UHFFFAOYSA-N
MW247.07 g/mol
LogP2.39
Rot. Bonds1

About (2-bromo-6-fluoro-4-methylphenyl)urea

(2-bromo-6-fluoro-4-methylphenyl)urea (PubChem CID 141173640) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is (2-bromo-6-fluoro-4-methylphenyl)urea.

Molecular Properties

Compound Name(2-bromo-6-fluoro-4-methylphenyl)urea
PubChem CID141173640
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC Name(2-bromo-6-fluoro-4-methylphenyl)urea
SMILESCc1cc(F)c(NC(N)=O)c(Br)c1
InChIInChI=1S/C8H8BrFN2O/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13)
InChIKeyRNSBFWFKCSRZKM-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4,6-difluorophenyl)urea
CID 43347715
(2,6-difluoro-4-methylphenyl)carbamic acid
CID 175535937
(2,4,6-tribromophenyl)urea
CID 28991940
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
(4-chloro-2,6-difluorophenyl)urea
CID 59083606
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
3-amino-N-(2,6-dibromo-4-methylphenyl)-5-fluoro-4-methylbenzamide
CID 60861695
N-(2-amino-2-sulfanylideneethyl)-N'-(2,6-dibromo-4-methylphenyl)oxamide
CID 43316443
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluoro-4-methylphenyl)urea?
The IUPAC name of (2-bromo-6-fluoro-4-methylphenyl)urea (CID 141173640) is (2-bromo-6-fluoro-4-methylphenyl)urea.
What is the SMILES notation for (2-bromo-6-fluoro-4-methylphenyl)urea?
The canonical SMILES for (2-bromo-6-fluoro-4-methylphenyl)urea is Cc1cc(F)c(NC(N)=O)c(Br)c1.
What is the InChIKey of (2-bromo-6-fluoro-4-methylphenyl)urea?
The InChIKey is RNSBFWFKCSRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-4-2-5(9)7(6(10)3-4)12-8(11)13/h2-3H,1H3,(H3,11,12,13).
What are the key properties of (2-bromo-6-fluoro-4-methylphenyl)urea?
(2-bromo-6-fluoro-4-methylphenyl)urea has a molecular weight of 247.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluoro-4-methylphenyl)urea is sourced from PubChem (CID 141173640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).