1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea

C12H17ClN2O2 — CID 3671934

IUPAC1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-3-17-7-6-14-12(16)15-11-8-10(13)5-4-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyQVBFGEBKBUDFKH-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.81
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea

1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea (PubChem CID 3671934) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
PubChem CID3671934
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
SMILESCCOCCNC(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C12H17ClN2O2/c1-3-17-7-6-14-12(16)15-11-8-10(13)5-4-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16)
InChIKeyQVBFGEBKBUDFKH-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.81
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

N'-(5-chloro-2-methylphenyl)-N-(2-ethoxyethyl)propanediamide
CID 131904454
1-(2,4-dichlorophenyl)-3-(2-ethoxyethyl)urea
CID 3314050
5-chloro-2-(2-ethoxyethylcarbamoylamino)benzoic acid
CID 61202362
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17112665
1-(5-chloro-2-methylphenyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869698
1-(5-chloro-2-methoxyphenyl)-3-[2-(2-hydroxyethoxy)ethyl]urea
CID 108875526
1-(5-chloro-2-methylphenyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891555
4-(2-ethoxyethylcarbamoylamino)-3-fluorobenzoic acid
CID 63190066
ethyl 3-[(5-chloro-2-hydroxyphenyl)carbamoylamino]propanoate
CID 10334217
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
1-(4-chloro-2-methylphenyl)-3-[2-(2,6-dimethylphenoxy)ethyl]urea
CID 112973357

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea (CID 3671934) is 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea is CCOCCNC(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea?
The InChIKey is QVBFGEBKBUDFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-3-17-7-6-14-12(16)15-11-8-10(13)5-4-9(11)2/h4-5,8H,3,6-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea?
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea has a molecular weight of 256.73 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea is sourced from PubChem (CID 3671934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).