1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea

C9H8BrClF2N2O — CID 99834350

IUPAC1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClF2N2O/c10-8-5(11)2-1-3-6(8)15-9(16)14-4-7(12)13/h1-3,7H,4H2,(H2,14,15,16)
InChIKeyIZABCAMRRULUEU-UHFFFAOYSA-N
MW313.53 g/mol
LogP3.49
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea

1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea (PubChem CID 99834350) has the molecular formula C9H8BrClF2N2O and a molecular weight of 313.53 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
PubChem CID99834350
Molecular FormulaC9H8BrClF2N2O
Molecular Weight313.53 g/mol
Exact Mass311.95
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea
SMILESO=C(NCC(F)F)Nc1cccc(Cl)c1Br
InChIInChI=1S/C9H8BrClF2N2O/c10-8-5(11)2-1-3-6(8)15-9(16)14-4-7(12)13/h1-3,7H,4H2,(H2,14,15,16)
InChIKeyIZABCAMRRULUEU-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758
N-[3-[(2-bromo-3-chlorophenyl)carbamoylamino]propyl]acetamide
CID 99834298
N-(2-bromo-3-chlorophenyl)-2-methylpropanamide
CID 103479781
1-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 103480827
2-bromo-N-(2-bromo-3-chlorophenyl)acetamide
CID 103478721
2-[[(2-bromo-3-chlorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 103480889
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
N-(2-bromo-3-chlorophenyl)-2,6-dihydroxybenzamide
CID 107688834
3-(2,2-difluoroethylcarbamoylamino)-2-methylbenzoic acid
CID 115408111
2-(2,2-difluoroethylcarbamoylamino)-6-methylbenzoic acid
CID 113303927
(2R)-2-amino-N-(2-bromo-3-chlorophenyl)-3-methylbutanamide
CID 103479404
N-(2-bromo-3-chlorophenyl)-2-chloro-2-phenylacetamide
CID 103478725

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea (CID 99834350) is 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea is O=C(NCC(F)F)Nc1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea?
The InChIKey is IZABCAMRRULUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2N2O/c10-8-5(11)2-1-3-6(8)15-9(16)14-4-7(12)13/h1-3,7H,4H2,(H2,14,15,16).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea?
1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea has a molecular weight of 313.53 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-3-(2,2-difluoroethyl)urea is sourced from PubChem (CID 99834350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).