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

C17H18Cl2N2O3 — CID 108880887

IUPAC1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)21-11-24-16-7-4-13(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyVAHBNMQDYFKSRD-UHFFFAOYSA-N
MW369.25 g/mol
LogP3.88
Rot. Bonds7

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

1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 108880887) has the molecular formula C17H18Cl2N2O3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID108880887
Molecular FormulaC17H18Cl2N2O3
Molecular Weight369.25 g/mol
Exact Mass368.07
IUPAC Name1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C17H18Cl2N2O3/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)21-11-24-16-7-4-13(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22)
InChIKeyVAHBNMQDYFKSRD-UHFFFAOYSA-N
XLogP3.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-2-methylphenoxy)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 112976506
2-(2,4-dichlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 3120270
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[(4-chlorophenyl)methyl]-3-[(2,4-dichlorophenoxy)methyl]urea
CID 108880889
1-[(2,4-dichlorophenoxy)methyl]-3-ethylurea
CID 108880980
1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108901858
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 51290944
1-[(2,4-dichlorophenoxy)methyl]-3-(3-methoxyphenyl)urea
CID 108880965
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 108891453
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877443
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
2-(2-acetyl-4-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7167777

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea (CID 108880887) is 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)NCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is VAHBNMQDYFKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3/c1-23-14-5-2-12(3-6-14)8-9-20-17(22)21-11-24-16-7-4-13(18)10-15(16)19/h2-7,10H,8-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea?
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 369.25 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 108880887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).