1-(2-chlorophenyl)-1-(4-ethylphenyl)urea

C15H15ClN2O — CID 174390843

IUPAC1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
SMILESCCc1ccc(N(C(N)=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-11-7-9-12(10-8-11)18(15(17)19)14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyNIYVVULBQBXVGO-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.12
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea

1-(2-chlorophenyl)-1-(4-ethylphenyl)urea (PubChem CID 174390843) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
PubChem CID174390843
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name1-(2-chlorophenyl)-1-(4-ethylphenyl)urea
SMILESCCc1ccc(N(C(N)=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-2-11-7-9-12(10-8-11)18(15(17)19)14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyNIYVVULBQBXVGO-UHFFFAOYSA-N
XLogP4.12
TPSA46.33 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea (CID 174390843) is 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea is CCc1ccc(N(C(N)=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea?
The InChIKey is NIYVVULBQBXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-11-7-9-12(10-8-11)18(15(17)19)14-6-4-3-5-13(14)16/h3-10H,2H2,1H3,(H2,17,19).
What are the key properties of 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea?
1-(2-chlorophenyl)-1-(4-ethylphenyl)urea has a molecular weight of 274.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(4-ethylphenyl)urea is sourced from PubChem (CID 174390843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).