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

C15H20Cl2N2O — CID 108888463

IUPAC1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
SMILESO=C(NCCC1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-4-8-13(14(12)17)19-15(20)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,18,19,20)
InChIKeyZNBQTGDKQXNVAC-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.09
Rot. Bonds4

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

1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea (PubChem CID 108888463) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
PubChem CID108888463
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea
SMILESO=C(NCCC1CCCCC1)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-12-7-4-8-13(14(12)17)19-15(20)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,18,19,20)
InChIKeyZNBQTGDKQXNVAC-UHFFFAOYSA-N
XLogP5.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclohexylethyl)-3-(2-hydroxyphenyl)urea
CID 108888519
1-(2-cyclohexylethyl)-3-naphthalen-1-ylurea
CID 108888599
1-(2,3-dichlorophenyl)-3-propylurea
CID 4654956
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
1-(3-chloro-2-hydroxyphenyl)-3-(cyclohexylmethyl)urea
CID 69012648
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
1-(3-chloro-2-fluorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118771660
1-(2,3-dichlorophenyl)-3-[2-(dimethylamino)ethyl]urea
CID 978037
N-cyclopropyl-2-[(2,3-dichlorophenyl)carbamoylamino]acetamide
CID 47133418
N-[2-[(2,3-dichlorophenyl)carbamoylamino]ethyl]benzamide
CID 47032142
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
1-(2,3-dichlorophenyl)-3-prop-2-ynylurea
CID 97180602

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea (CID 108888463) is 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea is O=C(NCCC1CCCCC1)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea?
The InChIKey is ZNBQTGDKQXNVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-12-7-4-8-13(14(12)17)19-15(20)18-10-9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H2,18,19,20).
What are the key properties of 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea?
1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea has a molecular weight of 315.24 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-(2,3-dichlorophenyl)urea is sourced from PubChem (CID 108888463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).