1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea

C15H14Cl2N2O — CID 108991483

IUPAC1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-2-10-6-3-4-8-12(10)18-15(20)19-13-9-5-7-11(16)14(13)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyHSPZQICJHPOUMX-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.20
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea

1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea (PubChem CID 108991483) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
PubChem CID108991483
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-2-10-6-3-4-8-12(10)18-15(20)19-13-9-5-7-11(16)14(13)17/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyHSPZQICJHPOUMX-UHFFFAOYSA-N
XLogP5.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.20
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
S-propyl N-(2,3-dichlorophenyl)carbamothioate
CID 4137558
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea (CID 108991483) is 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea?
The InChIKey is HSPZQICJHPOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-10-6-3-4-8-12(10)18-15(20)19-13-9-5-7-11(16)14(13)17/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea?
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea has a molecular weight of 309.20 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108991483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).