1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea

C16H17BrN2O3 — CID 19170100

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2)c(OC)cc1Br
InChIInChI=1S/C16H17BrN2O3/c1-10-4-6-11(7-5-10)18-16(20)19-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyHWDFEDRIEXBLRM-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.42
Rot. Bonds4

About 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea

1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea (PubChem CID 19170100) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
PubChem CID19170100
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2)c(OC)cc1Br
InChIInChI=1S/C16H17BrN2O3/c1-10-4-6-11(7-5-10)18-16(20)19-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyHWDFEDRIEXBLRM-UHFFFAOYSA-N
XLogP4.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(4-bromophenyl)-3-(4-chloro-2,5-dimethoxyphenyl)urea
CID 108869311
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
N-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108992307
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
1-(2,6-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 108867766
1-(4-amino-2-bromophenyl)-3-(4-methylphenyl)urea
CID 43551396
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
methyl 5-bromo-2-[(4-methylphenyl)carbamoylamino]benzoate
CID 1323538
N-(4-bromo-2,5-dimethoxyphenyl)-2,2-diphenylacetamide
CID 19170146
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea (CID 19170100) is 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea is COc1cc(NC(=O)Nc2ccc(C)cc2)c(OC)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea?
The InChIKey is HWDFEDRIEXBLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10-4-6-11(7-5-10)18-16(20)19-13-9-14(21-2)12(17)8-15(13)22-3/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea?
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea has a molecular weight of 365.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 19170100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).