1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea

C17H18Cl2N2O2 — CID 112974045

IUPAC1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-8-12(2)10-13(9-11)23-7-6-20-17(22)21-15-5-3-4-14(18)16(15)19/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22)
InChIKeyAGPXQRWNELSDKV-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.81
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea

1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea (PubChem CID 112974045) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
PubChem CID112974045
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
SMILESCc1cc(C)cc(OCCNC(=O)Nc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H18Cl2N2O2/c1-11-8-12(2)10-13(9-11)23-7-6-20-17(22)21-15-5-3-4-14(18)16(15)19/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22)
InChIKeyAGPXQRWNELSDKV-UHFFFAOYSA-N
XLogP4.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.81
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

1-(3-chloro-2-methylphenyl)-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975702
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(2-chlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971568
1-(2-chlorophenyl)-3-[3-(4-methylphenoxy)propyl]urea
CID 108881220
1-(4-bromo-2-methylphenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea
CID 112974036
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-[2-(3-tert-butylphenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112972760
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
N-(2,3-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870437
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2,3-dichlorophenyl)urea
CID 108881928

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea (CID 112974045) is 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea is Cc1cc(C)cc(OCCNC(=O)Nc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea?
The InChIKey is AGPXQRWNELSDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/c1-11-8-12(2)10-13(9-11)23-7-6-20-17(22)21-15-5-3-4-14(18)16(15)19/h3-5,8-10H,6-7H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea?
1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea has a molecular weight of 353.25 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[2-(3,5-dimethylphenoxy)ethyl]urea is sourced from PubChem (CID 112974045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).