1-(2-bromophenyl)-3-(4-methoxyphenyl)urea

C14H13BrN2O2 — CID 17267979

IUPAC1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-11-8-6-10(7-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,18)
InChIKeyQAAVDHUOVKPMDM-UHFFFAOYSA-N
MW321.17 g/mol
LogP4.10
Rot. Bonds3

About 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea

1-(2-bromophenyl)-3-(4-methoxyphenyl)urea (PubChem CID 17267979) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
PubChem CID17267979
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name1-(2-bromophenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O2/c1-19-11-8-6-10(7-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,18)
InChIKeyQAAVDHUOVKPMDM-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886286
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(4-methoxyphenyl)-3-(2-methylsulfanylphenyl)urea
CID 6465507
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
1-(4-methoxyphenyl)-3-[8-[(4-methoxyphenyl)carbamoylamino]naphthalen-1-yl]urea
CID 102497884
N-(2-bromophenyl)-4-methoxybenzamide
CID 5176555
1-(2-bromophenyl)-3-(4-fluorophenyl)urea
CID 835097
1-(4-methoxyphenyl)-3-[2-(methylaminomethyl)phenyl]urea
CID 43602404
2-(2-bromophenyl)-N-(4-methoxyphenyl)acetamide
CID 51057355
1-(2-cyclopropylphenyl)-3-(4-methoxyphenyl)urea
CID 6422539
1-(4-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea (CID 17267979) is 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccccc2Br)cc1.
What is the InChIKey of 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is QAAVDHUOVKPMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-11-8-6-10(7-9-11)16-14(18)17-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea?
1-(2-bromophenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 321.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 17267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).