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

C16H23Cl2N3O2 — CID 134125384

IUPAC1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea
SMILESCCCCNC(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C
InChIInChI=1S/C16H23Cl2N3O2/c1-5-6-7-19-15(23)20-21(16(2,3)4)14(22)11-8-12(17)10-13(18)9-11/h8-10H,5-7H2,1-4H3,(H2,19,20,23)
InChIKeyCKYPVKCJZGZUBM-UHFFFAOYSA-N
MW360.29 g/mol
LogP4.25
Rot. Bonds4

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

1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea (PubChem CID 134125384) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea.

Molecular Properties

Compound Name1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea
PubChem CID134125384
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea
SMILESCCCCNC(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C
InChIInChI=1S/C16H23Cl2N3O2/c1-5-6-7-19-15(23)20-21(16(2,3)4)14(22)11-8-12(17)10-13(18)9-11/h8-10H,5-7H2,1-4H3,(H2,19,20,23)
InChIKeyCKYPVKCJZGZUBM-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-cyclohexylurea
CID 134113406
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-dichlorophenyl)urea
CID 134100672
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(5-chloro-2-fluorophenyl)urea
CID 134112760
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
CID 134101828
3,5-dichloro-N-propylbenzamide
CID 2767298
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
tert-butyl N-[tert-butyl-[3-chloro-5-(methylcarbamoyl)benzoyl]amino]carbamate
CID 134113441
1-[tert-butyl-(3-chloro-5-methylbenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134093524
N-tert-butyl-4-chloro-N'-hex-2-ynoylbenzohydrazide
CID 67921954
N-butyl-3-chloro-5-sulfamoylbenzamide
CID 65374212
3-[(3,5-dichlorobenzoyl)amino]propyl-diethylazanium chloride
CID 20787024

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea?
The IUPAC name of 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea (CID 134125384) is 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea.
What is the SMILES notation for 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea?
The canonical SMILES for 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea is CCCCNC(=O)NN(C(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C.
What is the InChIKey of 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea?
The InChIKey is CKYPVKCJZGZUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O2/c1-5-6-7-19-15(23)20-21(16(2,3)4)14(22)11-8-12(17)10-13(18)9-11/h8-10H,5-7H2,1-4H3,(H2,19,20,23).
What are the key properties of 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea?
1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea has a molecular weight of 360.29 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea is sourced from PubChem (CID 134125384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).