1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea

C19H23ClN2O2 — CID 108883413

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCCOc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-11-14(2)18(15(3)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-16(17)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyXJHRCPSGWRBDMV-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.86
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea

1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea (PubChem CID 108883413) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
PubChem CID108883413
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea
SMILESCc1cc(C)c(NC(=O)NCCCOc2ccccc2Cl)c(C)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-11-14(2)18(15(3)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-16(17)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyXJHRCPSGWRBDMV-UHFFFAOYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.86
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-(2,6-dimethylphenyl)urea
CID 108883611
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
1-[2-(2-chlorophenoxy)ethyl]-3-(3-methylphenyl)urea
CID 112970623
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
ethyl N-[2-[3-(2-chlorophenoxy)propylcarbamoylamino]ethyl]carbamate
CID 108883684

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea (CID 108883413) is 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea is Cc1cc(C)c(NC(=O)NCCCOc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea?
The InChIKey is XJHRCPSGWRBDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-11-14(2)18(15(3)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-16(17)20/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea?
1-[3-(2-chlorophenoxy)propyl]-3-(2,4,6-trimethylphenyl)urea has a molecular weight of 346.86 g/mol, XLogP of 4.86, 6 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-(2,4,6-trimethylphenyl)urea is sourced from PubChem (CID 108883413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).