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

C19H23ClN2O2 — CID 112972760

IUPAC1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)14-7-6-8-15(13-14)24-12-11-21-18(23)22-17-10-5-4-9-16(17)20/h4-10,13H,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyTWTPJGUNXGRJCU-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.84
Rot. Bonds5

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

1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea (PubChem CID 112972760) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
PubChem CID112972760
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
SMILESCC(C)(C)c1cccc(OCCNC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-19(2,3)14-7-6-8-15(13-14)24-12-11-21-18(23)22-17-10-5-4-9-16(17)20/h4-10,13H,11-12H2,1-3H3,(H2,21,22,23)
InChIKeyTWTPJGUNXGRJCU-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'}

Analyze 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972893
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,4-difluorophenyl)urea
CID 112972799
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2,5-dimethoxyphenyl)urea
CID 112972775
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112972756
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-[2-(3-tert-butylphenoxy)ethyl]-3-(4-propan-2-yloxyphenyl)urea
CID 112972774
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
tert-butyl N-[2-(3-tert-butylphenoxy)ethyl]carbamate
CID 113100474
1-(2-chlorophenyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974484
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The IUPAC name of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea (CID 112972760) is 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The canonical SMILES for 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea is CC(C)(C)c1cccc(OCCNC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
The InChIKey is TWTPJGUNXGRJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-19(2,3)14-7-6-8-15(13-14)24-12-11-21-18(23)22-17-10-5-4-9-16(17)20/h4-10,13H,11-12H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea?
1-[2-(3-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-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea is sourced from PubChem (CID 112972760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).