1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea

C18H21ClN2O3 — CID 108877443

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-2-23-16-5-3-4-6-17(16)24-13-21-18(22)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyLHXZZZZYTXIWPD-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.62
Rot. Bonds8

About 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea

1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea (PubChem CID 108877443) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
PubChem CID108877443
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccccc1OCNC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3/c1-2-23-16-5-3-4-6-17(16)24-13-21-18(22)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22)
InChIKeyLHXZZZZYTXIWPD-UHFFFAOYSA-N
XLogP3.62
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.62
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-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877150
1-[(4-chlorophenoxy)methyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108885405
1-[2-(4-chlorophenyl)ethyl]-3-[2-(2-ethylphenoxy)ethyl]urea
CID 112971684
1-[(2-ethoxyphenoxy)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108877434
1-[2-(3,4-diethoxyphenyl)ethyl]-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878449
1-[2-(4-chlorophenyl)ethyl]-3-[(2,3,6-trimethylphenoxy)methyl]urea
CID 108880427
1-[2-(4-chlorophenyl)ethyl]-3-(3,4,5-triethoxyphenyl)urea
CID 108869954
3-(4-chlorophenyl)-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 16574764
1-(4-butylphenyl)-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877128
1-[(2,4-dichlorophenoxy)methyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108880887
1-[2-(diethylamino)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea
CID 108877258

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea (CID 108877443) is 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea is CCOc1ccccc1OCNC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea?
The InChIKey is LHXZZZZYTXIWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-2-23-16-5-3-4-6-17(16)24-13-21-18(22)20-12-11-14-7-9-15(19)10-8-14/h3-10H,2,11-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea?
1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea has a molecular weight of 348.83 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-[(2-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108877443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).