1-(3,4-dichlorophenyl)-3-ethylurea

C9H10Cl2N2O — CID 4079789

IUPAC1-(3,4-dichlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-2-12-9(14)13-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyFTJWKYIMFVTWKY-UHFFFAOYSA-N
MW233.10 g/mol
LogP3.13
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-ethylurea

1-(3,4-dichlorophenyl)-3-ethylurea (PubChem CID 4079789) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethylurea
PubChem CID4079789
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name1-(3,4-dichlorophenyl)-3-ethylurea
SMILESCCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-2-12-9(14)13-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H2,12,13,14)
InChIKeyFTJWKYIMFVTWKY-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethylurea (CID 4079789) is 1-(3,4-dichlorophenyl)-3-ethylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethylurea is CCNC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethylurea?
The InChIKey is FTJWKYIMFVTWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-2-12-9(14)13-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethylurea?
1-(3,4-dichlorophenyl)-3-ethylurea has a molecular weight of 233.10 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethylurea is sourced from PubChem (CID 4079789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).