1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea

C16H17ClN2O3 — CID 71859156

IUPAC1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea
SMILESCOc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-19(16(18)20)12-4-7-13(8-5-12)22-10-11-3-6-14(21-2)9-15(11)17/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyRFKQNCLATNYYMW-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.44
Rot. Bonds5

About 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea

1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea (PubChem CID 71859156) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea
PubChem CID71859156
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea
SMILESCOc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClN2O3/c1-19(16(18)20)12-4-7-13(8-5-12)22-10-11-3-6-14(21-2)9-15(11)17/h3-9H,10H2,1-2H3,(H2,18,20)
InChIKeyRFKQNCLATNYYMW-UHFFFAOYSA-N
XLogP3.44
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?
The IUPAC name of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea (CID 71859156) is 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea.
What is the SMILES notation for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?
The canonical SMILES for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea is COc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1.
What is the InChIKey of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?
The InChIKey is RFKQNCLATNYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-19(16(18)20)12-4-7-13(8-5-12)22-10-11-3-6-14(21-2)9-15(11)17/h3-9H,10H2,1-2H3,(H2,18,20).
What are the key properties of 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea?
1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea has a molecular weight of 320.78 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-4-methoxyphenyl)methoxy]phenyl]-1-methylurea is sourced from PubChem (CID 71859156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).