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

C16H17BrN2O3 — CID 108869555

IUPAC1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1
InChIInChI=1S/C16H17BrN2O3/c1-10-6-11(4-5-15(10)17)18-16(20)19-12-7-13(21-2)9-14(8-12)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyTYEQMKWOEMUKRK-UHFFFAOYSA-N
MW365.23 g/mol
LogP4.42
Rot. Bonds4

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

1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea (PubChem CID 108869555) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
PubChem CID108869555
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC Name1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1
InChIInChI=1S/C16H17BrN2O3/c1-10-6-11(4-5-15(10)17)18-16(20)19-12-7-13(21-2)9-14(8-12)22-3/h4-9H,1-3H3,(H2,18,19,20)
InChIKeyTYEQMKWOEMUKRK-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-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-[4-[(3,5-dimethoxyphenyl)carbamoylamino]phenyl]acetamide
CID 108869362
1-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 5080990
1-(4-bromo-3-methylphenyl)-3-(4-propan-2-ylphenyl)urea
CID 108991650
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 113197625
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
ethyl 4-[(4-bromo-3-methylphenyl)carbamoylamino]benzoate
CID 46859887
2-(4-bromo-3-methylanilino)-N-(4-methoxyphenyl)acetamide
CID 9099464
1-(4-bromo-3-methylphenyl)-3-(2,2-dimethoxyethyl)urea
CID 127586988
1-(4-amino-3-chlorophenyl)-3-(3,5-dimethoxyphenyl)urea
CID 108869425
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea (CID 108869555) is 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)Nc2ccc(Br)c(C)c2)cc(OC)c1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
The InChIKey is TYEQMKWOEMUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-10-6-11(4-5-15(10)17)18-16(20)19-12-7-13(21-2)9-14(8-12)22-3/h4-9H,1-3H3,(H2,18,19,20).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea?
1-(4-bromo-3-methylphenyl)-3-(3,5-dimethoxyphenyl)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-3-methylphenyl)-3-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 108869555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).