1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea

C14H12BrClN2O2 — CID 103480109

IUPAC1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-10-5-2-4-9(8-10)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyCMNAMUQOHJHTLS-UHFFFAOYSA-N
MW355.62 g/mol
LogP4.76
Rot. Bonds3

About 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea

1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea (PubChem CID 103480109) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
PubChem CID103480109
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC Name1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-10-5-2-4-9(8-10)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19)
InChIKeyCMNAMUQOHJHTLS-UHFFFAOYSA-N
XLogP4.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)urea
CID 103480099
1-(2-bromo-4-chlorophenyl)-3-(3-methoxyphenyl)urea
CID 81003505
1-[3-(1-aminoethyl)phenyl]-3-(2-bromo-3-chlorophenyl)urea
CID 103481256
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
2-bromo-N-(2-bromo-3-chlorophenyl)-5-methoxybenzamide
CID 103479738
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
1-(3-methoxyphenyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 51488466
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(3-methoxyphenyl)urea
CID 103269220
1-(2-bromo-3-chlorophenyl)-3-methylurea
CID 103478758

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea (CID 103480109) is 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccc(Cl)c2Br)c1.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is CMNAMUQOHJHTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-10-5-2-4-9(8-10)17-14(19)18-12-7-3-6-11(16)13(12)15/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea?
1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 355.62 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 103480109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).