1-benzyl-3-(4-chlorophenyl)-1-methylurea

C15H15ClN2O — CID 730303

IUPAC1-benzyl-3-(4-chlorophenyl)-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(11-12-5-3-2-4-6-12)15(19)17-14-9-7-13(16)8-10-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyXDSVMTMYPYUZAW-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.00
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-1-methylurea

1-benzyl-3-(4-chlorophenyl)-1-methylurea (PubChem CID 730303) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-1-methylurea.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-1-methylurea
PubChem CID730303
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-benzyl-3-(4-chlorophenyl)-1-methylurea
SMILESCN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-18(11-12-5-3-2-4-6-12)15(19)17-14-9-7-13(16)8-10-14/h2-10H,11H2,1H3,(H,17,19)
InChIKeyXDSVMTMYPYUZAW-UHFFFAOYSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-methylurea?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-1-methylurea (CID 730303) is 1-benzyl-3-(4-chlorophenyl)-1-methylurea.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-1-methylurea?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-1-methylurea is CN(Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-1-methylurea?
The InChIKey is XDSVMTMYPYUZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-18(11-12-5-3-2-4-6-12)15(19)17-14-9-7-13(16)8-10-14/h2-10H,11H2,1H3,(H,17,19).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-1-methylurea?
1-benzyl-3-(4-chlorophenyl)-1-methylurea has a molecular weight of 274.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-1-methylurea is sourced from PubChem (CID 730303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).