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

C17H19ClN2O3 — CID 112969963

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H19ClN2O3/c1-12-4-3-5-14(10-12)23-9-8-19-17(21)20-15-11-13(18)6-7-16(15)22-2/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeySNRHJJYLGIASHR-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.86
Rot. Bonds6

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

1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 112969963) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
PubChem CID112969963
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)NCCOc1cccc(C)c1
InChIInChI=1S/C17H19ClN2O3/c1-12-4-3-5-14(10-12)23-9-8-19-17(21)20-15-11-13(18)6-7-16(15)22-2/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21)
InChIKeySNRHJJYLGIASHR-UHFFFAOYSA-N
XLogP3.86
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.86
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-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
2-(5-chloro-2-methoxyanilino)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 31525310
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-chloro-3-methylphenoxy)ethyl]urea
CID 112976734
1-[2-(3-bromophenoxy)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 112971232
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-[2-(3-methylphenoxy)ethyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 38155146
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-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]azanium
CID 9137166

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea (CID 112969963) is 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea is COc1ccc(Cl)cc1NC(=O)NCCOc1cccc(C)c1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is SNRHJJYLGIASHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-12-4-3-5-14(10-12)23-9-8-19-17(21)20-15-11-13(18)6-7-16(15)22-2/h3-7,10-11H,8-9H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 334.80 g/mol, XLogP of 3.86, 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-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 112969963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).