(2-bromo-4,6-difluorophenyl)urea

C7H5BrF2N2O — CID 43347715

IUPAC(2-bromo-4,6-difluorophenyl)urea
SMILESNC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H5BrF2N2O/c8-4-1-3(9)2-5(10)6(4)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyYSRYRTNCSLCCOT-UHFFFAOYSA-N
MW251.03 g/mol
LogP2.22
Rot. Bonds1

About (2-bromo-4,6-difluorophenyl)urea

(2-bromo-4,6-difluorophenyl)urea (PubChem CID 43347715) has the molecular formula C7H5BrF2N2O and a molecular weight of 251.03 g/mol. Its IUPAC name is (2-bromo-4,6-difluorophenyl)urea.

Molecular Properties

Compound Name(2-bromo-4,6-difluorophenyl)urea
PubChem CID43347715
Molecular FormulaC7H5BrF2N2O
Molecular Weight251.03 g/mol
Exact Mass249.96
IUPAC Name(2-bromo-4,6-difluorophenyl)urea
SMILESNC(=O)Nc1c(F)cc(F)cc1Br
InChIInChI=1S/C7H5BrF2N2O/c8-4-1-3(9)2-5(10)6(4)12-7(11)13/h1-2H,(H3,11,12,13)
InChIKeyYSRYRTNCSLCCOT-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.03
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-6-fluoro-4-methylphenyl)urea
CID 141173640
N-(2-bromo-4,6-difluorophenyl)-2,2,2-trifluoroacetamide
CID 17068588
2-amino-N-(2-bromo-4,6-difluorophenyl)-2-ethylbutanamide
CID 79809416
2-amino-N-(2-bromo-4,6-difluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796967
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
2,2,2-trifluoroethyl N-(2-bromo-4,6-difluorophenyl)carbamate
CID 43347868
(2,4,6-tribromophenyl)urea
CID 28991940
2-amino-N-(2-bromo-4,6-difluorophenyl)-4-fluorobenzamide
CID 63109685
1-amino-N-(2-bromo-4,6-difluorophenyl)cyclohexane-1-carboxamide
CID 43168327
N-(2-bromo-4,6-difluorophenyl)-6-(methylamino)pyridazine-3-carboxamide
CID 62167720
4-amino-2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 61195411
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,6-difluorophenyl)urea?
The IUPAC name of (2-bromo-4,6-difluorophenyl)urea (CID 43347715) is (2-bromo-4,6-difluorophenyl)urea.
What is the SMILES notation for (2-bromo-4,6-difluorophenyl)urea?
The canonical SMILES for (2-bromo-4,6-difluorophenyl)urea is NC(=O)Nc1c(F)cc(F)cc1Br.
What is the InChIKey of (2-bromo-4,6-difluorophenyl)urea?
The InChIKey is YSRYRTNCSLCCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2N2O/c8-4-1-3(9)2-5(10)6(4)12-7(11)13/h1-2H,(H3,11,12,13).
What are the key properties of (2-bromo-4,6-difluorophenyl)urea?
(2-bromo-4,6-difluorophenyl)urea has a molecular weight of 251.03 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,6-difluorophenyl)urea is sourced from PubChem (CID 43347715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).