1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea

C13H9BrF2N2O — CID 3468982

IUPAC1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(15)4-5-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyISOBVRGBHXVHNF-UHFFFAOYSA-N
MW327.13 g/mol
LogP4.37
Rot. Bonds2

About 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea

1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea (PubChem CID 3468982) has the molecular formula C13H9BrF2N2O and a molecular weight of 327.13 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
PubChem CID3468982
Molecular FormulaC13H9BrF2N2O
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Name1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cccc(Br)c1)Nc1cc(F)ccc1F
InChIInChI=1S/C13H9BrF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(15)4-5-11(12)16/h1-7H,(H2,17,18,19)
InChIKeyISOBVRGBHXVHNF-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

2-[(3-bromophenyl)carbamoylamino]-4-fluorobenzoic acid
CID 61189999
1-(4-bromo-2-fluorophenyl)-3-(3-bromophenyl)urea
CID 46859941
1-(3-acetylphenyl)-3-(5-bromo-2-fluorophenyl)urea
CID 61345864
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
1-(2-bromo-4-fluorophenyl)-3-(2,5-difluorophenyl)urea
CID 46860014
1-(3-bromophenyl)-3-[3-fluoro-2-(hydroxymethyl)phenyl]urea
CID 156854728
1-(5-bromo-2-fluorophenyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61339972
1-[2-(3-bromophenyl)ethyl]-3-(2,5-difluorophenyl)urea
CID 108901812
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea (CID 3468982) is 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea is O=C(Nc1cccc(Br)c1)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea?
The InChIKey is ISOBVRGBHXVHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2N2O/c14-8-2-1-3-10(6-8)17-13(19)18-12-7-9(15)4-5-11(12)16/h1-7H,(H2,17,18,19).
What are the key properties of 1-(3-bromophenyl)-3-(2,5-difluorophenyl)urea?
1-(3-bromophenyl)-3-(2,5-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-(3-bromophenyl)-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 3468982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).