1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea

C18H19Cl2N3O2 — CID 134114934

IUPAC1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H19Cl2N3O2/c1-18(2,3)23(16(24)12-7-5-4-6-8-12)22-17(25)21-15-10-9-13(19)11-14(15)20/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyGSAFXKPCJUQBDW-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.97
Rot. Bonds2

About 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea

1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea (PubChem CID 134114934) has the molecular formula C18H19Cl2N3O2 and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
PubChem CID134114934
Molecular FormulaC18H19Cl2N3O2
Molecular Weight380.28 g/mol
Exact Mass379.09
IUPAC Name1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea
SMILESCC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1
InChIInChI=1S/C18H19Cl2N3O2/c1-18(2,3)23(16(24)12-7-5-4-6-8-12)22-17(25)21-15-10-9-13(19)11-14(15)20/h4-11H,1-3H3,(H2,21,22,25)
InChIKeyGSAFXKPCJUQBDW-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.97
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

N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-dichlorophenyl)urea
CID 134100672
1-[tert-butyl-(3,4,5-trichlorobenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134103965
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
1-[tert-butyl-(3-chloro-5-methylbenzoyl)amino]-3-(2,5-difluorophenyl)urea
CID 134093524
4-tert-butyl-N-(2,4-dichlorophenyl)benzamide
CID 773784
N-tert-butyl-N'-(2-hydroxy-2,2-diphenylacetyl)benzohydrazide
CID 139719107
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
N-(2-chlorophenyl)-N'-(2,4-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108968895
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] benzoate
CID 2516751
1-(2,4-dichlorophenyl)-3-hydroxyurea
CID 4295489
N-[4-[[tert-butyl-[2-(3-chlorophenyl)benzoyl]amino]carbamoyl]-2-chlorophenyl]acetamide
CID 67935960

Frequently Asked Questions

What is the IUPAC name of 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea?
The IUPAC name of 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea (CID 134114934) is 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea?
The canonical SMILES for 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea is CC(C)(C)N(NC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1.
What is the InChIKey of 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea?
The InChIKey is GSAFXKPCJUQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3O2/c1-18(2,3)23(16(24)12-7-5-4-6-8-12)22-17(25)21-15-10-9-13(19)11-14(15)20/h4-11H,1-3H3,(H2,21,22,25).
What are the key properties of 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea?
1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea has a molecular weight of 380.28 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzoyl(tert-butyl)amino]-3-(2,4-dichlorophenyl)urea is sourced from PubChem (CID 134114934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).