1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea

C16H17ClN2O3 — CID 86862844

IUPAC1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(NC(=O)NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-13-7-8-15(14(17)11-13)19-16(20)18-9-10-22-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyKFXKDBHNQGBKCM-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea

1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea (PubChem CID 86862844) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
PubChem CID86862844
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
SMILESCOc1ccc(NC(=O)NCCOc2ccccc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-13-7-8-15(14(17)11-13)19-16(20)18-9-10-22-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,20)
InChIKeyKFXKDBHNQGBKCM-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.55
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-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2,4-dimethoxyphenyl)-3-(3-phenoxypropyl)urea
CID 108883150
1-benzyl-3-(2-chloro-4-methoxyphenyl)urea
CID 110774601
2-[(2-chloro-4-methoxyphenyl)carbamoylamino]acetic acid
CID 82500241
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
methyl 4-chloro-3-[2-(3-methoxyphenoxy)ethylcarbamoylamino]benzoate
CID 112971593
1-(2-chloro-4-methoxyphenyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]urea
CID 86876809
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
CID 108887027

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea (CID 86862844) is 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea is COc1ccc(NC(=O)NCCOc2ccccc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea?
The InChIKey is KFXKDBHNQGBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-13-7-8-15(14(17)11-13)19-16(20)18-9-10-22-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea?
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea has a molecular weight of 320.78 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 86862844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).