3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea

C17H19ClN2O2 — CID 108879841

IUPAC3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NC(C)Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-3-20(15-7-5-4-6-8-15)17(21)19-13(2)22-16-11-9-14(18)10-12-16/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyWMYAUSIXODLPLD-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.30
Rot. Bonds5

About 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea

3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea (PubChem CID 108879841) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea.

Molecular Properties

Compound Name3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
PubChem CID108879841
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
SMILESCCN(C(=O)NC(C)Oc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H19ClN2O2/c1-3-20(15-7-5-4-6-8-15)17(21)19-13(2)22-16-11-9-14(18)10-12-16/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyWMYAUSIXODLPLD-UHFFFAOYSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
CID 108879857
1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880670
1-ethyl-1-(3-methylphenyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880749
3-[1-(4-chlorophenoxy)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108879958
1-butyl-3-[1-(4-chlorophenoxy)ethyl]-1-methylurea
CID 108879927
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
3-(2,5-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108886137

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea?
The IUPAC name of 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea (CID 108879841) is 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea.
What is the SMILES notation for 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea?
The canonical SMILES for 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea is CCN(C(=O)NC(C)Oc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea?
The InChIKey is WMYAUSIXODLPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-3-20(15-7-5-4-6-8-15)17(21)19-13(2)22-16-11-9-14(18)10-12-16/h4-13H,3H2,1-2H3,(H,19,21).
What are the key properties of 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea?
3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea has a molecular weight of 318.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea is sourced from PubChem (CID 108879841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).