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

C16H17ClN2O3 — CID 38158814

IUPAC1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-21-14-6-4-3-5-11(14)10-18-16(20)19-12-7-8-15(22-2)13(17)9-12/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyKQXZQOIFJNLBJJ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.68
Rot. Bonds5

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

1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 38158814) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID38158814
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccccc2OC)cc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-21-14-6-4-3-5-11(14)10-18-16(20)19-12-7-8-15(22-2)13(17)9-12/h3-9H,10H2,1-2H3,(H2,18,19,20)
InChIKeyKQXZQOIFJNLBJJ-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

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Related Compounds

1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 976862
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
2-(3-chloro-4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 110767041
3-chloro-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 95970560
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(2-chlorophenyl)methyl]urea
CID 52594568
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
N-(3,4-dichlorophenyl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962989
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea (CID 38158814) is 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccc(NC(=O)NCc2ccccc2OC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is KQXZQOIFJNLBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-21-14-6-4-3-5-11(14)10-18-16(20)19-12-7-8-15(22-2)13(17)9-12/h3-9H,10H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)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-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 38158814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).