1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea

C20H19Cl2F2N3O2 — CID 134090747

IUPAC1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)ccc1F)NN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C20H19Cl2F2N3O2/c21-13-8-12(9-14(22)10-13)19(28)27(16-4-2-1-3-5-16)26-20(29)25-18-11-15(23)6-7-17(18)24/h6-11,16H,1-5H2,(H2,25,26,29)
InChIKeyGJWPGLHEVBZUOH-UHFFFAOYSA-N
MW442.29 g/mol
LogP5.78
Rot. Bonds3

About 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea

1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea (PubChem CID 134090747) has the molecular formula C20H19Cl2F2N3O2 and a molecular weight of 442.29 g/mol. Its IUPAC name is 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea.

Molecular Properties

Compound Name1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
PubChem CID134090747
Molecular FormulaC20H19Cl2F2N3O2
Molecular Weight442.29 g/mol
Exact Mass441.08
IUPAC Name1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
SMILESO=C(Nc1cc(F)ccc1F)NN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1
InChIInChI=1S/C20H19Cl2F2N3O2/c21-13-8-12(9-14(22)10-13)19(28)27(16-4-2-1-3-5-16)26-20(29)25-18-11-15(23)6-7-17(18)24/h6-11,16H,1-5H2,(H2,25,26,29)
InChIKeyGJWPGLHEVBZUOH-UHFFFAOYSA-N
XLogP5.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.29
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)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-[1-adamantyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134113326
1-[tert-butyl-(3-chloro-5-methylbenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134093524
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(5-chloro-2-fluorophenyl)urea
CID 134112760
1-[tert-butyl-(3,4,5-trichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134103965
N-cyclohexyl-N'-(2,5-difluorophenyl)oxamide
CID 7585081
1-(5-chloro-2-fluorophenyl)-3-cyclohexylurea
CID 47103534
1-(cyclopropylmethyl)-3-(2,5-difluorophenyl)urea
CID 3873240
1-(azepan-2-ylmethyl)-3-(2,5-difluorophenyl)urea;hydrochloride
CID 154900952
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
3-[(2,5-difluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043354
1-[(E)-2-cyclopentylprop-1-enyl]-3-(2,5-difluorophenyl)urea
CID 108914116

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea?
The IUPAC name of 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea (CID 134090747) is 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea.
What is the SMILES notation for 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea?
The canonical SMILES for 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea is O=C(Nc1cc(F)ccc1F)NN(C(=O)c1cc(Cl)cc(Cl)c1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea?
The InChIKey is GJWPGLHEVBZUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2F2N3O2/c21-13-8-12(9-14(22)10-13)19(28)27(16-4-2-1-3-5-16)26-20(29)25-18-11-15(23)6-7-17(18)24/h6-11,16H,1-5H2,(H2,25,26,29).
What are the key properties of 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea?
1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea has a molecular weight of 442.29 g/mol, XLogP of 5.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea is sourced from PubChem (CID 134090747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).