1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea

C13H14Cl2N2O2 — CID 43652933

IUPAC1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H14Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h3,6-8H,1-2,4-5H2,(H2,16,17,19)
InChIKeyTUAWNCFHSWNPQM-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.63
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea

1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea (PubChem CID 43652933) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
PubChem CID43652933
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea
SMILESO=C1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H14Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h3,6-8H,1-2,4-5H2,(H2,16,17,19)
InChIKeyTUAWNCFHSWNPQM-UHFFFAOYSA-N
XLogP3.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-4-yl)-3-(3,4-dichlorophenyl)urea
CID 107172624
3,4-dichloro-N-(4-oxocyclohexyl)benzamide
CID 43652866
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 9350005
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
N-cyclopropyl-N'-(3,4-dichlorophenyl)oxamide
CID 2193894
1-(3,4-dichlorophenyl)-3-(4-pyrimidin-2-yloxycyclohexyl)urea
CID 90633471
1-(3,4-dichlorophenyl)-3-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)urea
CID 7304408
N-cyclopentyl-N'-(3,4-dichlorophenyl)oxamide
CID 2059042
1-(3-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16776834
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
1-(3-chloro-4-methylphenyl)-3-cycloheptylurea
CID 73352041
1-(4-nitrophenyl)-3-(4-oxocyclohexyl)urea
CID 43652930

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea (CID 43652933) is 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea is O=C1CCC(NC(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea?
The InChIKey is TUAWNCFHSWNPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c14-11-6-3-9(7-12(11)15)17-13(19)16-8-1-4-10(18)5-2-8/h3,6-8H,1-2,4-5H2,(H2,16,17,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea?
1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea has a molecular weight of 301.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-oxocyclohexyl)urea is sourced from PubChem (CID 43652933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).