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

C17H19ClN2O3 — CID 108897731

IUPAC1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-8-15(9-7-14)23-11-10-19-17(21)20-12-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyLYNRUZHWKCPXJT-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.23
Rot. Bonds7

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

1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (PubChem CID 108897731) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
PubChem CID108897731
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
SMILESCOc1ccc(OCCNC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O3/c1-22-14-6-8-15(9-7-14)23-11-10-19-17(21)20-12-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21)
InChIKeyLYNRUZHWKCPXJT-UHFFFAOYSA-N
XLogP3.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-3-[2-(3,5-dimethoxyphenoxy)ethyl]urea
CID 112975628
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-chlorophenyl)methyl]urea
CID 112970907
N-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]propanamide
CID 109021354
1-[(2-chlorophenyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969922
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-[(2-chlorophenyl)methyl]-3-[2-(2-methoxy-4-methylphenoxy)ethyl]urea
CID 112975273
1-[2-(4-chlorophenoxy)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 112970906
1-[(2-chlorophenyl)methyl]-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974570
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
1-[3-(2-chlorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 108883586
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[2-(4-methylphenoxy)ethyl]urea
CID 110924287
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea (CID 108897731) is 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is COc1ccc(OCCNC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
The InChIKey is LYNRUZHWKCPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-22-14-6-8-15(9-7-14)23-11-10-19-17(21)20-12-13-4-2-3-5-16(13)18/h2-9H,10-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea?
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea has a molecular weight of 334.80 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea is sourced from PubChem (CID 108897731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).