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

C14H10BrClF2N2O — CID 65499725

IUPAC1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(F)cc(Br)cc2F)cc1Cl
InChIInChI=1S/C14H10BrClF2N2O/c1-7-2-3-9(6-10(7)16)19-14(21)20-13-11(17)4-8(15)5-12(13)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyWPPSBTUHYSVAHM-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.33
Rot. Bonds2

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

1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 65499725) has the molecular formula C14H10BrClF2N2O and a molecular weight of 375.60 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID65499725
Molecular FormulaC14H10BrClF2N2O
Molecular Weight375.60 g/mol
Exact Mass373.96
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2c(F)cc(Br)cc2F)cc1Cl
InChIInChI=1S/C14H10BrClF2N2O/c1-7-2-3-9(6-10(7)16)19-14(21)20-13-11(17)4-8(15)5-12(13)18/h2-6H,1H3,(H2,19,20,21)
InChIKeyWPPSBTUHYSVAHM-UHFFFAOYSA-N
XLogP5.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 107640736
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-(4-tert-butylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 108884728
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
1-(3-chloro-4-methylphenyl)-3-(methylamino)urea
CID 126971586
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea (CID 65499725) is 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2c(F)cc(Br)cc2F)cc1Cl.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is WPPSBTUHYSVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF2N2O/c1-7-2-3-9(6-10(7)16)19-14(21)20-13-11(17)4-8(15)5-12(13)18/h2-6H,1H3,(H2,19,20,21).
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 375.60 g/mol, XLogP of 5.33, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 65499725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).