1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea

C12H17ClN2O3 — CID 108894261

IUPAC1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O3/c1-9-10(13)4-3-5-11(9)15-12(16)14-8-18-7-6-17-2/h3-5H,6-8H2,1-2H3,(H2,14,15,16)
InChIKeyQAZZGILOCTVDOY-UHFFFAOYSA-N
MW272.73 g/mol
LogP2.39
Rot. Bonds6

About 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea

1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea (PubChem CID 108894261) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
PubChem CID108894261
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea
SMILESCOCCOCNC(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O3/c1-9-10(13)4-3-5-11(9)15-12(16)14-8-18-7-6-17-2/h3-5H,6-8H2,1-2H3,(H2,14,15,16)
InChIKeyQAZZGILOCTVDOY-UHFFFAOYSA-N
XLogP2.39
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1-(3-chloro-2-methylphenyl)-3-[3-(2-hydroxyethoxy)propyl]urea
CID 110020567
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085087
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108878981
1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
N-[2-[(3-chloro-2-methylphenyl)carbamoylamino]ethyl]-4-methoxybenzamide
CID 55816767
1-(3-chloro-2-methylphenyl)-3-[[1-(methoxymethyl)cyclobutyl]methyl]urea
CID 131926247
N-(3-chloro-2-methylphenyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 51077098
1-(3-chloro-2-methylphenyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108898298
1-(3-chloro-2-methylphenyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 108896725
1-(3-chloro-2-methylphenyl)-3-(2-methylphenyl)urea
CID 19165606
1-(3-chloro-2-methylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 108891823

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea (CID 108894261) is 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea is COCCOCNC(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea?
The InChIKey is QAZZGILOCTVDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-9-10(13)4-3-5-11(9)15-12(16)14-8-18-7-6-17-2/h3-5H,6-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea?
1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea has a molecular weight of 272.73 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-3-(2-methoxyethoxymethyl)urea is sourced from PubChem (CID 108894261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).