1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea

C16H17ClN2O3 — CID 110774913

IUPAC1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-14-8-3-11(15(9-14)22-2)10-18-16(20)19-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeySMZZGVWUCTWIIN-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.68
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea

1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea (PubChem CID 110774913) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
PubChem CID110774913
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(OC)c1
InChIInChI=1S/C16H17ClN2O3/c1-21-14-8-3-11(15(9-14)22-2)10-18-16(20)19-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeySMZZGVWUCTWIIN-UHFFFAOYSA-N
XLogP3.68
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)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-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
1-[(2,4-dimethoxyphenyl)methyl]-3-ethylurea
CID 47277960
N-(4-chlorophenyl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804409
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethoxyphenyl)urea
CID 17283665
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
(2,4-dimethoxyphenyl)methylurea
CID 53362457
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-butyl-3-[(2,4-dimethoxyphenyl)methyl]urea
CID 47277958
1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea (CID 110774913) is 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2ccc(Cl)cc2)c(OC)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea?
The InChIKey is SMZZGVWUCTWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-14-8-3-11(15(9-14)22-2)10-18-16(20)19-13-6-4-12(17)5-7-13/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea?
1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea has a molecular weight of 320.78 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2,4-dimethoxyphenyl)methyl]urea is sourced from PubChem (CID 110774913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).