1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

C19H23ClN2O3 — CID 108883971

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C19H23ClN2O3/c1-13-7-4-5-8-17(13)25-10-6-9-21-19(23)22-16-11-14(2)15(20)12-18(16)24-3/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyXYDVPCBKGSULTF-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.56
Rot. Bonds7

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (PubChem CID 108883971) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
PubChem CID108883971
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccccc1C
InChIInChI=1S/C19H23ClN2O3/c1-13-7-4-5-8-17(13)25-10-6-9-21-19(23)22-16-11-14(2)15(20)12-18(16)24-3/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23)
InChIKeyXYDVPCBKGSULTF-UHFFFAOYSA-N
XLogP4.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]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-(2-methoxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883704
1-(2-methoxyphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969846
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyethyl)urea
CID 47196271
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970434
1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972651
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900136
1-(2-chloro-4,6-dimethylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883961
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972492
1-(4-chloro-2-methylphenyl)-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969838
1-(4-hydroxy-2-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883755
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea (CID 108883971) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is COc1cc(Cl)c(C)cc1NC(=O)NCCCOc1ccccc1C.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
The InChIKey is XYDVPCBKGSULTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13-7-4-5-8-17(13)25-10-6-9-21-19(23)22-16-11-14(2)15(20)12-18(16)24-3/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea has a molecular weight of 362.86 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[3-(2-methylphenoxy)propyl]urea is sourced from PubChem (CID 108883971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).