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

C14H11BrF2N2O2 — CID 2209375

IUPAC1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrF2N2O2/c1-21-10-4-2-9(3-5-10)18-14(20)19-13-11(15)6-8(16)7-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyYNPGQDQAKMJVSC-UHFFFAOYSA-N
MW357.15 g/mol
LogP4.38
Rot. Bonds3

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

1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea (PubChem CID 2209375) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
PubChem CID2209375
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1
InChIInChI=1S/C14H11BrF2N2O2/c1-21-10-4-2-9(3-5-10)18-14(20)19-13-11(15)6-8(16)7-12(13)17/h2-7H,1H3,(H2,18,19,20)
InChIKeyYNPGQDQAKMJVSC-UHFFFAOYSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-4,6-difluorophenyl)-3-pyridin-4-ylurea
CID 58862009
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
1-(2-bromo-6-ethynyl-4-methylphenyl)-3-(4-methoxyphenyl)urea
CID 135071700
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 17267979
1-(5-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 970666
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
2-(2-bromo-4,6-difluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 60901393
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
(2-bromo-4,6-difluorophenyl)urea
CID 43347715
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
ethyl 4-[(2,4,6-trifluorophenyl)carbamoylamino]benzoate
CID 59825425

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea (CID 2209375) is 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2c(F)cc(F)cc2Br)cc1.
What is the InChIKey of 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is YNPGQDQAKMJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-10-4-2-9(3-5-10)18-14(20)19-13-11(15)6-8(16)7-12(13)17/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea?
1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 357.15 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,6-difluorophenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 2209375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).