1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea

C17H19ClN2O3 — CID 108890615

IUPAC1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-3-22-14-6-8-15(9-7-14)23-11-19-17(21)20-13-5-4-12(2)16(18)10-13/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyJMWWAALGXOOGHY-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.21
Rot. Bonds6

About 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea

1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea (PubChem CID 108890615) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
PubChem CID108890615
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
SMILESCCOc1ccc(OCNC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-3-22-14-6-8-15(9-7-14)23-11-19-17(21)20-13-5-4-12(2)16(18)10-13/h4-10H,3,11H2,1-2H3,(H2,19,20,21)
InChIKeyJMWWAALGXOOGHY-UHFFFAOYSA-N
XLogP4.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]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

1-(3-chloro-4-methylphenyl)-3-(phenoxymethyl)urea
CID 108888748
1-(4-chlorophenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890719
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
1-(3,4-dimethylphenyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879503
1-(3-chloro-4-methylphenyl)-3-[2-(2-ethoxyphenyl)ethyl]urea
CID 5221281
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-(3-chloro-4-fluorophenyl)urea
CID 108878088
1-[4-(diethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890846
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890825
1-(3-bromo-4-methylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973207
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(4-methylphenoxy)methyl]urea
CID 108892905
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea (CID 108890615) is 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea is CCOc1ccc(OCNC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
The InChIKey is JMWWAALGXOOGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-3-22-14-6-8-15(9-7-14)23-11-19-17(21)20-13-5-4-12(2)16(18)10-13/h4-10H,3,11H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea?
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea has a molecular weight of 334.80 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea is sourced from PubChem (CID 108890615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).