1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea

C19H23ClN2O2 — CID 108883342

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14(2)15-8-3-5-10-17(15)22-19(23)21-12-7-13-24-18-11-6-4-9-16(18)20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyROSZJOLSMASCEP-UHFFFAOYSA-N
MW346.86 g/mol
LogP5.05
Rot. Bonds7

About 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea

1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea (PubChem CID 108883342) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
PubChem CID108883342
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
SMILESCC(C)c1ccccc1NC(=O)NCCCOc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-14(2)15-8-3-5-10-17(15)22-19(23)21-12-7-13-24-18-11-6-4-9-16(18)20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,21,22,23)
InChIKeyROSZJOLSMASCEP-UHFFFAOYSA-N
XLogP5.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 55.05
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-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[2-(2-ethylphenoxy)ethyl]-3-(2-propan-2-ylphenyl)urea
CID 112971732
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-propan-2-ylphenyl)urea
CID 108881561
1-(2-fluorophenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972279
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
butyl 2-[3-(2-chlorophenoxy)propylcarbamoylamino]benzoate
CID 108883426
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
CID 108883413
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[3-(2-chlorophenoxy)propyl]-3-(1-hydroxybutan-2-yl)urea
CID 108883517

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea (CID 108883342) is 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea is CC(C)c1ccccc1NC(=O)NCCCOc1ccccc1Cl.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea?
The InChIKey is ROSZJOLSMASCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-14(2)15-8-3-5-10-17(15)22-19(23)21-12-7-13-24-18-11-6-4-9-16(18)20/h3-6,8-11,14H,7,12-13H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea?
1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea has a molecular weight of 346.86 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 108883342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).