1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea

C18H25Cl2N3O2 — CID 134113406

IUPAC1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea
SMILESCC(C)(C)N(NC(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-18(2,3)23(16(24)12-9-13(19)11-14(20)10-12)22-17(25)21-15-7-5-4-6-8-15/h9-11,15H,4-8H2,1-3H3,(H2,21,22,25)
InChIKeyOECOPVGRHQASPK-UHFFFAOYSA-N
MW386.32 g/mol
LogP4.78
Rot. Bonds2

About 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea

1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea (PubChem CID 134113406) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea
PubChem CID134113406
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC Name1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea
SMILESCC(C)(C)N(NC(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H25Cl2N3O2/c1-18(2,3)23(16(24)12-9-13(19)11-14(20)10-12)22-17(25)21-15-7-5-4-6-8-15/h9-11,15H,4-8H2,1-3H3,(H2,21,22,25)
InChIKeyOECOPVGRHQASPK-UHFFFAOYSA-N
XLogP4.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-dichlorophenyl)urea
CID 134100672
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-4-chloro-N'-(cyclopentanecarbonyl)benzohydrazide
CID 67921959
3-chloro-N-cyclopentyl-5-methylbenzamide
CID 80948177
N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
CID 134101828
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
3,5-dichloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]benzamide
CID 46476936
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
1-(3-chloro-5-methylphenyl)-3-cyclohexylurea
CID 143846785
1-cyclopentyl-3-(2,4,6-trichlorophenyl)urea
CID 67521970
(2R)-2-cyano-N-cyclohexyl-3-(3,5-dichlorophenyl)-3-oxopropanamide
CID 98431549
2,5-dichloro-3-(cyclohexylcarbamoyl)benzenesulfonyl chloride
CID 65367156

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea?
The IUPAC name of 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea (CID 134113406) is 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea.
What is the SMILES notation for 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea?
The canonical SMILES for 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea is CC(C)(C)N(NC(=O)NC1CCCCC1)C(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea?
The InChIKey is OECOPVGRHQASPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O2/c1-18(2,3)23(16(24)12-9-13(19)11-14(20)10-12)22-17(25)21-15-7-5-4-6-8-15/h9-11,15H,4-8H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea?
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea has a molecular weight of 386.32 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea is sourced from PubChem (CID 134113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).