1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea

C16H16Cl2N2O5 — CID 69011342

IUPAC1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC
InChIInChI=1S/C16H16Cl2N2O5/c1-23-12-6-9(7-13(24-2)15(12)25-3)19-16(22)20-11-5-8(17)4-10(18)14(11)21/h4-7,21H,1-3H3,(H2,19,20,22)
InChIKeyCKXCLMSQSXUCAI-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.37
Rot. Bonds5

About 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 69011342) has the molecular formula C16H16Cl2N2O5 and a molecular weight of 387.22 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID69011342
Molecular FormulaC16H16Cl2N2O5
Molecular Weight387.22 g/mol
Exact Mass386.04
IUPAC Name1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC
InChIInChI=1S/C16H16Cl2N2O5/c1-23-12-6-9(7-13(24-2)15(12)25-3)19-16(22)20-11-5-8(17)4-10(18)14(11)21/h4-7,21H,1-3H3,(H2,19,20,22)
InChIKeyCKXCLMSQSXUCAI-UHFFFAOYSA-N
XLogP4.37
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-hydroxy-5-(1-hydroxyethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 69012883
1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(2,6-dimethylphenyl)urea;1-[5-chloro-2-hydroxy-3-(1-hydroxyethyl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 162197940
1-(4-amino-3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866651
1-methyl-3-(3,4,5-trimethoxyphenyl)urea
CID 17171369
3,5-dichloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102136
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
1-(2,4-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 46859657
1-(2-bromo-4-methylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866764
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(3,4,5-trihydroxyphenyl)urea
CID 108871952
1-(2,6-diethylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 108866635
1-quinolin-5-yl-3-(3,4,5-trimethoxyphenyl)urea
CID 164620319
N-[(3,5-dichloro-4-hydroxyphenyl)carbamothioyl]-3,4,5-trimethoxybenzamide
CID 5146034

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 69011342) is 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cc(Cl)cc(Cl)c2O)cc(OC)c1OC.
What is the InChIKey of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is CKXCLMSQSXUCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O5/c1-23-12-6-9(7-13(24-2)15(12)25-3)19-16(22)20-11-5-8(17)4-10(18)14(11)21/h4-7,21H,1-3H3,(H2,19,20,22).
What are the key properties of 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 387.22 g/mol, XLogP of 4.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 69011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).