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

C15H15ClN2O2 — CID 894484

IUPAC1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-7-5-11(6-8-14)10-17-15(19)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeySWYHVSWQJBGHCA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.67
Rot. Bonds4

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

1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea (PubChem CID 894484) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
PubChem CID894484
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C15H15ClN2O2/c1-20-14-7-5-11(6-8-14)10-17-15(19)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19)
InChIKeySWYHVSWQJBGHCA-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea (CID 894484) is 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea is COc1ccc(CNC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
The InChIKey is SWYHVSWQJBGHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-20-14-7-5-11(6-8-14)10-17-15(19)18-13-4-2-3-12(16)9-13/h2-9H,10H2,1H3,(H2,17,18,19).
What are the key properties of 1-(3-chlorophenyl)-3-[(4-methoxyphenyl)methyl]urea?
1-(3-chlorophenyl)-3-[(4-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-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 894484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).