1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea

C20H28Cl2N4O2 — CID 4253311

IUPAC1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1cc(Cl)c(NC(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1
InChIInChI=1S/C20H28Cl2N4O2/c21-15-12-18(26-20(28)24-14-9-5-2-6-10-14)16(22)11-17(15)25-19(27)23-13-7-3-1-4-8-13/h11-14H,1-10H2,(H2,23,25,27)(H2,24,26,28)
InChIKeySHINYSWLIRNZDW-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.90
Rot. Bonds4

About 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea

1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea (PubChem CID 4253311) has the molecular formula C20H28Cl2N4O2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
PubChem CID4253311
Molecular FormulaC20H28Cl2N4O2
Molecular Weight427.38 g/mol
Exact Mass426.16
IUPAC Name1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
SMILESO=C(Nc1cc(Cl)c(NC(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1
InChIInChI=1S/C20H28Cl2N4O2/c21-15-12-18(26-20(28)24-14-9-5-2-6-10-14)16(22)11-17(15)25-19(27)23-13-7-3-1-4-8-13/h11-14H,1-10H2,(H2,23,25,27)(H2,24,26,28)
InChIKeySHINYSWLIRNZDW-UHFFFAOYSA-N
XLogP5.90
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopentyl-3-(2,5-dichlorophenyl)urea
CID 47192576
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
4-chloro-3-(cyclobutylcarbamoylamino)benzoic acid
CID 62415793
1-(4-chloro-2-methylphenyl)-3-cycloheptylurea
CID 47132649
1-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-3-cyclohexylurea
CID 62908041
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-amino-N-[2-chloro-5-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 39184480
1-(3-chloro-2-methoxyphenyl)-3-cyclohexylurea
CID 5148075

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea (CID 4253311) is 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea is O=C(Nc1cc(Cl)c(NC(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea?
The InChIKey is SHINYSWLIRNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N4O2/c21-15-12-18(26-20(28)24-14-9-5-2-6-10-14)16(22)11-17(15)25-19(27)23-13-7-3-1-4-8-13/h11-14H,1-10H2,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea?
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea has a molecular weight of 427.38 g/mol, XLogP of 5.90, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 4253311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).