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

C17H19BrN2O4 — CID 108866764

IUPAC1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2Br)cc(OC)c1OC
InChIInChI=1S/C17H19BrN2O4/c1-10-5-6-13(12(18)7-10)20-17(21)19-11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyNUKJMJOZPAQWED-UHFFFAOYSA-N
MW395.25 g/mol
LogP4.43
Rot. Bonds5

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

1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 108866764) has the molecular formula C17H19BrN2O4 and a molecular weight of 395.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID108866764
Molecular FormulaC17H19BrN2O4
Molecular Weight395.25 g/mol
Exact Mass394.05
IUPAC Name1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(C)cc2Br)cc(OC)c1OC
InChIInChI=1S/C17H19BrN2O4/c1-10-5-6-13(12(18)7-10)20-17(21)19-11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3,(H2,19,20,21)
InChIKeyNUKJMJOZPAQWED-UHFFFAOYSA-N
XLogP4.43
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.25
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
methyl 4-[(2-bromo-4-methylphenyl)carbamoylamino]benzoate
CID 108992383
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(2-bromo-4-methylphenyl)-2,3-dimethoxybenzamide
CID 26524219
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 17367543
N-(2-bromo-4-methylphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109009601
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 108866764) is 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(C)cc2Br)cc(OC)c1OC.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is NUKJMJOZPAQWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4/c1-10-5-6-13(12(18)7-10)20-17(21)19-11-8-14(22-2)16(24-4)15(9-11)23-3/h5-9H,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 395.25 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 108866764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).