1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea

C18H21ClN2O2 — CID 134042604

IUPAC1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-17(13-8-10-15(23-2)11-9-13)21-18(22)20-12-14-6-4-5-7-16(14)19/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyWBYJUQDKXCXUMC-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.30
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea

1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea (PubChem CID 134042604) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
PubChem CID134042604
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
SMILESCCC(NC(=O)NCc1ccccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-17(13-8-10-15(23-2)11-9-13)21-18(22)20-12-14-6-4-5-7-16(14)19/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22)
InChIKeyWBYJUQDKXCXUMC-UHFFFAOYSA-N
XLogP4.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)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)methyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 134042538
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
4-[(2-chlorophenyl)methoxy]-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 28574896
1-[1-(4-methoxyphenyl)propyl]-3-propylurea
CID 133230838
2-(2-chlorophenyl)-N-(1-phenylpropyl)acetamide
CID 17328141
1-(4-methoxyphenyl)-3-(1-phenylpropyl)urea
CID 6469359
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-phenylacetamide
CID 28632525
1-[(2-chlorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108897731
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(2-hydroxy-2-phenylpropyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111335702
1-[(2-chlorophenyl)methyl]-3-propan-2-ylurea
CID 23548600
1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea (CID 134042604) is 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea is CCC(NC(=O)NCc1ccccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea?
The InChIKey is WBYJUQDKXCXUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-17(13-8-10-15(23-2)11-9-13)21-18(22)20-12-14-6-4-5-7-16(14)19/h4-11,17H,3,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea?
1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea has a molecular weight of 332.83 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-[1-(4-methoxyphenyl)propyl]urea is sourced from PubChem (CID 134042604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).