1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea

C17H18Cl2N2O3 — CID 112976734

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-11-9-13(4-5-14(11)19)24-8-7-20-17(22)21-15-10-12(18)3-6-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeySPAXVYORXGQAAA-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.51
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea (PubChem CID 112976734) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
PubChem CID112976734
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C17H18Cl2N2O3/c1-11-9-13(4-5-14(11)19)24-8-7-20-17(22)21-15-10-12(18)3-6-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22)
InChIKeySPAXVYORXGQAAA-UHFFFAOYSA-N
XLogP4.51
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-(4-chloro-2-methylphenyl)-3-[2-(3,4-dimethylphenoxy)ethyl]urea
CID 112974174
methyl 4-chloro-3-[2-(4-chloro-3-methylphenoxy)ethylcarbamoylamino]benzoate
CID 112976758
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea (CID 112976734) is 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NCCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea?
The InChIKey is SPAXVYORXGQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-11-9-13(4-5-14(11)19)24-8-7-20-17(22)21-15-10-12(18)3-6-16(15)23-2/h3-6,9-10H,7-8H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea has a molecular weight of 369.25 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112976734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).