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

C15H15ClN2O2 — CID 976862

IUPAC1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-3-2-5-11(14)10-17-15(19)18-13-7-4-6-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyVCZULWFBVRFLBT-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.67
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 976862) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID976862
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-8-3-2-5-11(14)10-17-15(19)18-13-7-4-6-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeyVCZULWFBVRFLBT-UHFFFAOYSA-N
XLogP3.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-amino-2-methoxyphenyl)methyl]-3-(3-chlorophenyl)urea
CID 61013605
1-(3-chloro-4-methoxyphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38158814
1-(3-chloro-4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 38156060
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[(2-methoxyphenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 17087564
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-[3-(methanesulfonamido)phenyl]-3-[(2-methoxyphenyl)methyl]urea
CID 38215828
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
2-N-(3-chlorophenyl)-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086818
1-(3-chlorophenyl)-3-[[1-(2-methoxyphenyl)cyclobutyl]methyl]urea
CID 110441168
tert-butyl N-[2-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]ethyl]carbamate
CID 91280373
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea (CID 976862) is 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is VCZULWFBVRFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-8-3-2-5-11(14)10-17-15(19)18-13-7-4-6-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 290.75 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 976862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).