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

C16H17ClN2O2 — CID 108879857

IUPAC3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
SMILESCC(NC(=O)N(C)c1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-10-8-13(17)9-11-15)18-16(20)19(2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)
InChIKeyHFBOGGZVZSCERY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.91
Rot. Bonds4

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

3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea (PubChem CID 108879857) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea.

Molecular Properties

Compound Name3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
PubChem CID108879857
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea
SMILESCC(NC(=O)N(C)c1ccccc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN2O2/c1-12(21-15-10-8-13(17)9-11-15)18-16(20)19(2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)
InChIKeyHFBOGGZVZSCERY-UHFFFAOYSA-N
XLogP3.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

3-[1-(4-chlorophenoxy)ethyl]-1-ethyl-1-phenylurea
CID 108879841
3-[1-(4-chlorophenoxy)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108879958
1-butyl-3-[1-(4-chlorophenoxy)ethyl]-1-methylurea
CID 108879927
1-ethyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880587
2-[[methyl(phenyl)carbamoyl]amino]propanoic acid
CID 61187226
1-benzyl-1-phenyl-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880670
1-[1-(4-chlorophenoxy)ethyl]-3-(2-phenylethyl)urea
CID 108879758
3-(1-aminopropan-2-yl)-1-methyl-1-phenylurea
CID 82507336
3-(3,5-dichlorophenoxy)-1-methyl-1-phenylurea
CID 14459171
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
1-[1-(4-chlorophenoxy)ethyl]-3-pyrimidin-2-ylurea
CID 108879855
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea?
The IUPAC name of 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea (CID 108879857) is 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea.
What is the SMILES notation for 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea?
The canonical SMILES for 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea is CC(NC(=O)N(C)c1ccccc1)Oc1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea?
The InChIKey is HFBOGGZVZSCERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-12(21-15-10-8-13(17)9-11-15)18-16(20)19(2)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20).
What are the key properties of 3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea?
3-[1-(4-chlorophenoxy)ethyl]-1-methyl-1-phenylurea has a molecular weight of 304.78 g/mol, XLogP of 3.91, 4 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-methyl-1-phenylurea is sourced from PubChem (CID 108879857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).