1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea

C20H22Cl2N4O2 — CID 11026212

IUPAC1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N4O2/c21-13-4-8-15(9-5-13)23-19(27)25-17-2-1-3-18(12-17)26-20(28)24-16-10-6-14(22)7-11-16/h4-11,17-18H,1-3,12H2,(H2,23,25,27)(H2,24,26,28)
InChIKeyXBWNJGQLNCAOLX-UHFFFAOYSA-N
MW421.33 g/mol
LogP5.25
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea

1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea (PubChem CID 11026212) has the molecular formula C20H22Cl2N4O2 and a molecular weight of 421.33 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
PubChem CID11026212
Molecular FormulaC20H22Cl2N4O2
Molecular Weight421.33 g/mol
Exact Mass420.11
IUPAC Name1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H22Cl2N4O2/c21-13-4-8-15(9-5-13)23-19(27)25-17-2-1-3-18(12-17)26-20(28)24-16-10-6-14(22)7-11-16/h4-11,17-18H,1-3,12H2,(H2,23,25,27)(H2,24,26,28)
InChIKeyXBWNJGQLNCAOLX-UHFFFAOYSA-N
XLogP5.25
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.33
LogP ≤ 55.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-(3-methylcyclohexyl)urea
CID 3710204
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-[(1R,2R)-2-hydroxycyclopentyl]urea
CID 40546318
1-(4-chlorophenyl)-3-[(1S,5R)-9-propan-2-yl-9-azoniabicyclo[3.3.1]nonan-3-yl]urea
CID 11902308
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
1-(4-chlorophenyl)-3-[(1S,5R)-3-hydroxy-6-bicyclo[3.1.0]hexanyl]urea
CID 147474562
methyl 4-[(4-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylate
CID 115616953
4-chloro-N-[4-(cyclohexylcarbamoylamino)phenyl]-N-methylbenzamide
CID 60572957
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
1-(4-chlorophenyl)-3-(oxolan-2-yl)urea
CID 110706711
1-N-(4-chlorophenyl)-2-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132096

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea (CID 11026212) is 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCCC(NC(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea?
The InChIKey is XBWNJGQLNCAOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4O2/c21-13-4-8-15(9-5-13)23-19(27)25-17-2-1-3-18(12-17)26-20(28)24-16-10-6-14(22)7-11-16/h4-11,17-18H,1-3,12H2,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea?
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea has a molecular weight of 421.33 g/mol, XLogP of 5.25, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea is sourced from PubChem (CID 11026212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).