1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea

C15H14Cl2N2O — CID 108991481

IUPAC1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-10-5-3-4-6-14(10)19-15(20)18-13-8-11(16)7-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyCVEPFAPUWSRFBB-UHFFFAOYSA-N
MW309.20 g/mol
LogP5.20
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea

1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea (PubChem CID 108991481) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
PubChem CID108991481
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
SMILESCCc1ccccc1NC(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H14Cl2N2O/c1-2-10-5-3-4-6-14(10)19-15(20)18-13-8-11(16)7-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKeyCVEPFAPUWSRFBB-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

N'-(3,5-dichlorophenyl)-N-(2-ethylphenyl)oxamide
CID 108530358
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353
N-(3,5-dichlorophenyl)-3-(2-ethylanilino)propanamide
CID 109036245
1-(3-amino-4-ethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652978
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-(3-aminophenyl)-3-(2-ethylphenyl)urea
CID 30050716
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
3,5-dichloro-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 27762230
1-(2,5-difluorophenyl)-3-(2-ethylphenyl)urea
CID 6465020
N-(3-chlorophenyl)-N'-(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968198

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea (CID 108991481) is 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea is CCc1ccccc1NC(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea?
The InChIKey is CVEPFAPUWSRFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-2-10-5-3-4-6-14(10)19-15(20)18-13-8-11(16)7-12(17)9-13/h3-9H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea?
1-(3,5-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-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea is sourced from PubChem (CID 108991481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).