1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea

C17H23ClN2O2 — CID 108912284

IUPAC1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-10-15(16(22-2)11-14(12)18)20-17(21)19-9-8-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,19,20,21)/b9-8+
InChIKeyHFQIPVLLAVXADN-CMDGGOBGSA-N
MW322.84 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea

1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea (PubChem CID 108912284) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
PubChem CID108912284
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea
SMILESCOc1cc(Cl)c(C)cc1NC(=O)N/C=C/C1CCCCC1
InChIInChI=1S/C17H23ClN2O2/c1-12-10-15(16(22-2)11-14(12)18)20-17(21)19-9-8-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,19,20,21)/b9-8+
InChIKeyHFQIPVLLAVXADN-CMDGGOBGSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]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-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
1-[(E)-2-cyclohexylethenyl]-3-(2,4-dimethoxyphenyl)urea
CID 108912165
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(2-fluorophenyl)ethenyl]urea
CID 108904481
1-[(E)-2-cyclopentylethenyl]-3-(2-methoxy-4-nitrophenyl)urea
CID 108911715
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906343
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-cyclohexyl-N'-methyloxamide
CID 108503847
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclopropylpropanamide
CID 110428070
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(E)-2-cyclopentylprop-1-enyl]urea
CID 108914085
1-[(E)-2-cyclopropylethenyl]-3-(2-methoxy-5-nitrophenyl)urea
CID 108915958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The IUPAC name of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea (CID 108912284) is 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea.
What is the SMILES notation for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The canonical SMILES for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea is COc1cc(Cl)c(C)cc1NC(=O)N/C=C/C1CCCCC1.
What is the InChIKey of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea?
The InChIKey is HFQIPVLLAVXADN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-10-15(16(22-2)11-14(12)18)20-17(21)19-9-8-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H2,19,20,21)/b9-8+.
What are the key properties of 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea?
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea has a molecular weight of 322.84 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxy-5-methylphenyl)-3-[(E)-2-cyclohexylethenyl]urea is sourced from PubChem (CID 108912284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).