1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea

C14H11BrClFN2O — CID 107640736

IUPAC1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20)
InChIKeyOYTIEUMNTVDEAV-UHFFFAOYSA-N
MW357.61 g/mol
LogP5.19
Rot. Bonds2

About 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea

1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 107640736) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID107640736
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(F)ccc2Br)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20)
InChIKeyOYTIEUMNTVDEAV-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3-(3,4-dimethylphenyl)urea
CID 46859753
1-(4-bromo-2,6-difluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 65499725
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea
CID 51046135
1-(3-chloro-4-methylphenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 51046150
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(4-bromo-2-ethylphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 81288618
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(3-chloro-4-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108991867
N-(2-bromo-5-fluorophenyl)-4-chloro-3-methylbenzamide
CID 113256553
1-(3-chloro-4-methylphenyl)-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 17262540
1-(2-chloro-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)thiourea
CID 53489418

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea (CID 107640736) is 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(F)ccc2Br)cc1Cl.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is OYTIEUMNTVDEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c1-8-2-4-10(7-12(8)16)18-14(20)19-13-6-9(17)3-5-11(13)15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea?
1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 357.61 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 107640736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).