1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C19H23ClN2O2 — CID 108883961

IUPAC1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1cc(C)c(NC(=O)NCCCOc2ccccc2C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-11-15(3)18(16(20)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-14(17)2/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyQKKPXBQSIQCPMB-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.86
Rot. Bonds6

About 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883961) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883961
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCc1cc(C)c(NC(=O)NCCCOc2ccccc2C)c(Cl)c1
InChIInChI=1S/C19H23ClN2O2/c1-13-11-15(3)18(16(20)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-14(17)2/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyQKKPXBQSIQCPMB-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-(2,4,6-trimethylphenyl)urea
CID 108883413
1-(2-chloro-4,6-dimethylphenyl)-3-(3-phenoxypropyl)urea
CID 108883243
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881452
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-(2,6-diethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883771
1-[2-(3-bromophenoxy)ethyl]-3-(2-chloro-4,6-dimethylphenyl)urea
CID 112971224
1-(3-chlorophenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883801
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883971
1-[2-(2-ethylphenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112971734
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 112977055
1-(3-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883694
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883961) is 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is Cc1cc(C)c(NC(=O)NCCCOc2ccccc2C)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is QKKPXBQSIQCPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-13-11-15(3)18(16(20)12-13)22-19(23)21-9-6-10-24-17-8-5-4-7-14(17)2/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]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-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).