1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea

C13H9BrF2N2O — CID 27138045

IUPAC1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(15)7-10(12)16/h1-7H,(H2,17,18,19)
InChIKeyNCDFWBQYXLQYDZ-UHFFFAOYSA-N
MW327.13 g/mol
LogP4.37
Rot. Bonds2

About 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea

1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea (PubChem CID 27138045) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
PubChem CID27138045
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1F)Nc1ccccc1Br
InChIInChI=1S/C13H9BrF2N2O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(15)7-10(12)16/h1-7H,(H2,17,18,19)
InChIKeyNCDFWBQYXLQYDZ-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)-3-(4-fluoro-2-hydroxyphenyl)urea
CID 22011338
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
2-(2-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 113098832
1-(4-bromo-2,5-difluorophenyl)-3-(2-fluorophenyl)urea
CID 107612572
N-(2-bromophenyl)-3-(2,4-difluoroanilino)propanamide
CID 109042099
1-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]-3-(2,4-difluorophenyl)urea
CID 1450122
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
1-(2,4-difluorophenyl)-3-(2-phenoxyphenyl)urea
CID 108992692
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
1-(2,4-difluorophenyl)-3-(2,3,4-trifluorophenyl)urea
CID 108892630
1-(2,4-difluorophenyl)-3-(3,5-difluorophenyl)urea
CID 46859669
2-(2-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000855

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea (CID 27138045) is 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea is O=C(Nc1ccc(F)cc1F)Nc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea?
The InChIKey is NCDFWBQYXLQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-9-3-1-2-4-11(9)17-13(19)18-12-6-5-8(15)7-10(12)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea?
1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea has a molecular weight of 327.13 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,4-difluorophenyl)urea is sourced from PubChem (CID 27138045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).