1-(4-chlorophenyl)-3-ethylurea

C9H11ClN2O — CID 853589

IUPAC1-(4-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyBUQNPNBBHVNTJO-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.48
Rot. Bonds2

About 1-(4-chlorophenyl)-3-ethylurea

1-(4-chlorophenyl)-3-ethylurea (PubChem CID 853589) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-ethylurea
PubChem CID853589
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name1-(4-chlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C9H11ClN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13)
InChIKeyBUQNPNBBHVNTJO-UHFFFAOYSA-N
XLogP2.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-ethylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-ethylurea (CID 853589) is 1-(4-chlorophenyl)-3-ethylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-ethylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-ethylurea is CCNC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-ethylurea?
The InChIKey is BUQNPNBBHVNTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-11-9(13)12-8-5-3-7(10)4-6-8/h3-6H,2H2,1H3,(H2,11,12,13).
What are the key properties of 1-(4-chlorophenyl)-3-ethylurea?
1-(4-chlorophenyl)-3-ethylurea has a molecular weight of 198.65 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-ethylurea is sourced from PubChem (CID 853589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).