1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane

C16H17BrF2N2O2 — CID 143368571

IUPAC1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane
SMILESCC.COc1ccc(F)cc1NC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C14H11BrF2N2O2.C2H6/c1-21-12-6-5-8(16)7-11(12)18-14(20)19-13-9(15)3-2-4-10(13)17;1-2/h2-7H,1H3,(H2,18,19,20);1-2H3
InChIKeyPWECJEIHYQJZHH-UHFFFAOYSA-N
MW387.22 g/mol
LogP5.41
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane

1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane (PubChem CID 143368571) has the molecular formula C16H17BrF2N2O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane
PubChem CID143368571
Molecular FormulaC16H17BrF2N2O2
Molecular Weight387.22 g/mol
Exact Mass386.04
IUPAC Name1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane
SMILESCC.COc1ccc(F)cc1NC(=O)Nc1c(F)cccc1Br
InChIInChI=1S/C14H11BrF2N2O2.C2H6/c1-21-12-6-5-8(16)7-11(12)18-14(20)19-13-9(15)3-2-4-10(13)17;1-2/h2-7H,1H3,(H2,18,19,20);1-2H3
InChIKeyPWECJEIHYQJZHH-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.22
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-3-(2,6-dimethoxyphenyl)urea
CID 108867921
N-(2-bromo-5-fluorophenyl)-2-fluoro-6-methoxybenzamide
CID 103756076
1-(5-chloro-2-methoxyphenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 970503
1-(2-fluoro-6-iodophenyl)-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea
CID 171063040
N-(2-bromo-6-fluorophenyl)acetamide
CID 59145529
1-(4-fluoro-2-iodophenyl)-3-(2-methoxyphenyl)urea
CID 79766487
methyl 2-(2-bromo-6-fluoroanilino)-2-oxoacetate
CID 107602508
1-benzyl-3-(5-fluoro-2-methoxyphenyl)urea
CID 110774465
N-(5-chloro-2-methoxyphenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108502213
N-(5-fluoro-2-methoxyphenyl)-2-(3-fluorophenyl)acetamide
CID 110776591
1-(3-acetylphenyl)-3-(2-bromo-6-fluorophenyl)urea
CID 107602984
2-bromo-N-(5-chloro-2-methoxyphenyl)-4-fluorobenzamide
CID 9191956

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane (CID 143368571) is 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane is CC.COc1ccc(F)cc1NC(=O)Nc1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane?
The InChIKey is PWECJEIHYQJZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2.C2H6/c1-21-12-6-5-8(16)7-11(12)18-14(20)19-13-9(15)3-2-4-10(13)17;1-2/h2-7H,1H3,(H2,18,19,20);1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane?
1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane has a molecular weight of 387.22 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-3-(5-fluoro-2-methoxyphenyl)urea;ethane is sourced from PubChem (CID 143368571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).