1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea

C16H17ClN2O — CID 3704943

IUPAC1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-12-8-6-7-11(2)15(12)19-16(20)18-14-10-5-4-9-13(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUQJPTJMWLFGGAT-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.85
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea

1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea (PubChem CID 3704943) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
PubChem CID3704943
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
SMILESCCc1cccc(C)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClN2O/c1-3-12-8-6-7-11(2)15(12)19-16(20)18-14-10-5-4-9-13(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUQJPTJMWLFGGAT-UHFFFAOYSA-N
XLogP4.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
CID 4994979
3-(2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036591
N-(2-chlorophenyl)-2-[4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9434312
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
1-(2,3-dichlorophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991413
2-(2,3-dichloroanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 54815902
1-(2-chloro-6-methylphenyl)-3-(2,3-dichlorophenyl)urea
CID 4526657
1-[2-(2-chlorophenoxy)ethyl]-3-(2-ethyl-6-methylphenyl)urea
CID 112970637
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
N-(2,4-dichlorophenyl)-N'-(2-ethyl-6-methylphenyl)propanediamide
CID 108954244

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea (CID 3704943) is 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea is CCc1cccc(C)c1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
The InChIKey is UQJPTJMWLFGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-12-8-6-7-11(2)15(12)19-16(20)18-14-10-5-4-9-13(14)17/h4-10H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea?
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea has a molecular weight of 288.78 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea is sourced from PubChem (CID 3704943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).