1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea

C14H11BrF2N2O — CID 108992661

IUPAC1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
SMILESCc1cc(NC(=O)Nc2c(F)cccc2F)ccc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-8-7-9(5-6-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyQDZKSPIQIDXTBT-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.68
Rot. Bonds2

About 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea

1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea (PubChem CID 108992661) has the molecular formula C14H11BrF2N2O and a molecular weight of 341.16 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
PubChem CID108992661
Molecular FormulaC14H11BrF2N2O
Molecular Weight341.16 g/mol
Exact Mass340.00
IUPAC Name1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
SMILESCc1cc(NC(=O)Nc2c(F)cccc2F)ccc1Br
InChIInChI=1S/C14H11BrF2N2O/c1-8-7-9(5-6-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyQDZKSPIQIDXTBT-UHFFFAOYSA-N
XLogP4.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
CID 2526988
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(2,6-difluorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991420
1-(3-acetylphenyl)-3-(2-bromo-6-fluorophenyl)urea
CID 107602984
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
1-[3-(1-aminoethyl)phenyl]-3-(4-bromo-3-methylphenyl)urea
CID 61340907
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N'-(4-bromo-3-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108956592
1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869555
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea (CID 108992661) is 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea is Cc1cc(NC(=O)Nc2c(F)cccc2F)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea?
The InChIKey is QDZKSPIQIDXTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O/c1-8-7-9(5-6-10(8)15)18-14(20)19-13-11(16)3-2-4-12(13)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea?
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea has a molecular weight of 341.16 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea is sourced from PubChem (CID 108992661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).