1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea

C17H19ClN2O2 — CID 108879758

IUPAC1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCC(NC(=O)NCCc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13(22-16-9-7-15(18)8-10-16)20-17(21)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20,21)
InChIKeyIAODBVSHPWBHOZ-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.61
Rot. Bonds6

About 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea

1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea (PubChem CID 108879758) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
PubChem CID108879758
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
SMILESCC(NC(=O)NCCc1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O2/c1-13(22-16-9-7-15(18)8-10-16)20-17(21)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20,21)
InChIKeyIAODBVSHPWBHOZ-UHFFFAOYSA-N
XLogP3.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-chlorophenoxy)ethylcarbamoylamino]butanoic acid
CID 108879787
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
1-[(2-bromophenyl)methyl]-3-[1-(4-chlorophenoxy)ethyl]urea
CID 108880036
ethyl 2-[1-(4-chlorophenoxy)ethylcarbamoylamino]acetate
CID 108880029
2-(benzylcarbamoylamino)-N-[2-(4-chlorophenyl)ethyl]-3-methylbutanamide
CID 55544274
2-[2-(4-chlorophenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4944061
2-[2-(4-chlorophenyl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 61380462
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]propanoic acid
CID 68745701
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea?
The IUPAC name of 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea (CID 108879758) is 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea is CC(NC(=O)NCCc1ccccc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea?
The InChIKey is IAODBVSHPWBHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-13(22-16-9-7-15(18)8-10-16)20-17(21)19-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea?
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea has a molecular weight of 318.80 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea is sourced from PubChem (CID 108879758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).