1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea

C16H16Cl2N2O2 — CID 108880890

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)20-16(21)19-10-22-15-8-7-13(17)9-14(15)18/h2-9,11H,10H2,1H3,(H2,19,20,21)
InChIKeyJYTRVCCOVKSLIB-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.39
Rot. Bonds5

About 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea

1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea (PubChem CID 108880890) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea
PubChem CID108880890
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)NCOc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)20-16(21)19-10-22-15-8-7-13(17)9-14(15)18/h2-9,11H,10H2,1H3,(H2,19,20,21)
InChIKeyJYTRVCCOVKSLIB-UHFFFAOYSA-N
XLogP4.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxypropyl)urea
CID 108880979
1-tert-butyl-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880884
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-[(2,4-dichlorophenoxy)methyl]-3-(2,6-dimethylphenyl)urea
CID 108881118
1-[(2,4-dichlorophenoxy)methyl]-3-(2-hydroxyphenyl)urea
CID 108880931
1-[(2,4-dichlorophenoxy)methyl]-3-[(2-methylphenyl)methyl]urea
CID 108881154
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872991
1-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(2-methoxyphenoxy)methyl]urea
CID 108892136
1-(5-chloro-2-methoxyphenyl)-3-(1-phenylethyl)urea
CID 23931434
1-[(4-chlorophenyl)methyl]-3-(1-phenylethyl)urea
CID 108899206
1-[(2,4-dichlorophenoxy)methyl]-3-(2-ethoxyphenyl)urea
CID 108881082
1-[(2,4-dichlorophenoxy)methyl]-3-(3,4-dichlorophenyl)urea
CID 108880841

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea (CID 108880890) is 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea is CC(NC(=O)NCOc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea?
The InChIKey is JYTRVCCOVKSLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-11(12-5-3-2-4-6-12)20-16(21)19-10-22-15-8-7-13(17)9-14(15)18/h2-9,11H,10H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea?
1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea has a molecular weight of 339.22 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 108880890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).