1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea

C17H19ClN2O — CID 4994979

IUPAC1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-3-12-8-7-9-13(4-2)16(12)20-17(21)19-15-11-6-5-10-14(15)18/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyXPURMUXHWCZTIR-UHFFFAOYSA-N
MW302.80 g/mol
LogP5.11
Rot. Bonds4

About 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea

1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea (PubChem CID 4994979) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
PubChem CID4994979
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea
SMILESCCc1cccc(CC)c1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H19ClN2O/c1-3-12-8-7-9-13(4-2)16(12)20-17(21)19-15-11-6-5-10-14(15)18/h5-11H,3-4H2,1-2H3,(H2,19,20,21)
InChIKeyXPURMUXHWCZTIR-UHFFFAOYSA-N
XLogP5.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.80
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
1-(2,3-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991483
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
1-(2-chlorophenyl)-3-(4-ethyl-3-fluorophenyl)urea
CID 71013470
1-(2,6-dichlorophenyl)-3-(2-methylphenyl)urea
CID 44721842
2-(2,6-dichlorophenyl)-N-(2,6-diethylphenyl)acetamide
CID 7700454
1-(2-chlorophenyl)-3-(4-ethyl-2-methylphenyl)urea
CID 71013489
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N'-(2,6-diethylphenyl)-N-(2-ethylphenyl)propanediamide
CID 108953932

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea (CID 4994979) is 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea is CCc1cccc(CC)c1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea?
The InChIKey is XPURMUXHWCZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-12-8-7-9-13(4-2)16(12)20-17(21)19-15-11-6-5-10-14(15)18/h5-11H,3-4H2,1-2H3,(H2,19,20,21).
What are the key properties of 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea?
1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea has a molecular weight of 302.80 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2,6-diethylphenyl)urea is sourced from PubChem (CID 4994979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).