1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea

C19H23ClN2O2 — CID 112972893

IUPAC1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)14-8-10-15(11-9-14)24-13-12-21-18(23)22-17-7-5-4-6-16(17)20/h4-11H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyQZUBITQREUVWSW-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea

1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea (PubChem CID 112972893) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
PubChem CID112972893
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)14-8-10-15(11-9-14)24-13-12-21-18(23)22-17-7-5-4-6-16(17)20/h4-11H,12-13H2,1-3H3,(H2,21,22,23)
InChIKeyQZUBITQREUVWSW-UHFFFAOYSA-N
XLogP4.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-[3-(4-tert-butylphenoxy)propyl]-3-(2-chloro-3-pyridinyl)urea
CID 108882793
1-(4-amino-2-chlorophenyl)-3-[3-(4-tert-butylphenoxy)propyl]urea
CID 108882763
N-[2-(4-tert-butylphenoxy)ethyl]-2-chlorobenzamide
CID 27861720
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[3-(4-tert-butylphenoxy)propyl]-3-(3,5-dichlorophenyl)urea
CID 108882902
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
[2-(2-chloroanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856011
2-[(2-chlorophenyl)carbamoylamino]ethyl N-tert-butylcarbamate
CID 153406093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea (CID 112972893) is 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea is CC(C)(C)c1ccc(OCCNC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The InChIKey is QZUBITQREUVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,3)14-8-10-15(11-9-14)24-13-12-21-18(23)22-17-7-5-4-6-16(17)20/h4-11H,12-13H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea has a molecular weight of 346.86 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 112972893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).