N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C34H50B3BrCl2N2O8 — CID 159648764

IUPACN-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1.CC(=O)Nc1cc(Cl)ccc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C14H19BClNO3.C12H24B2O4.C8H7BrClNO/c1-9(18)17-12-8-10(16)6-7-11(12)15-19-13(2,3)14(4,5)20-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5(12)11-8-4-6(10)2-3-7(8)9/h6-8H,1-5H3,(H,17,18);1-8H3;2-4H,1H3,(H,11,12)
InChIKeyMRHJRUAUOSHRIA-UHFFFAOYSA-N
MW798.03 g/mol
LogP7.91
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159648764) has the molecular formula C34H50B3BrCl2N2O8 and a molecular weight of 798.03 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159648764
Molecular FormulaC34H50B3BrCl2N2O8
Molecular Weight798.03 g/mol
Exact Mass796.24
IUPAC NameN-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1.CC(=O)Nc1cc(Cl)ccc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C14H19BClNO3.C12H24B2O4.C8H7BrClNO/c1-9(18)17-12-8-10(16)6-7-11(12)15-19-13(2,3)14(4,5)20-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5(12)11-8-4-6(10)2-3-7(8)9/h6-8H,1-5H3,(H,17,18);1-8H3;2-4H,1H3,(H,11,12)
InChIKeyMRHJRUAUOSHRIA-UHFFFAOYSA-N
XLogP7.91
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.03
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

N-[4,5-dichloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 75486283
N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 156594464
N-[4-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 70976041
N-[5-chloro-2-[2-methylsulfanyl-6-oxo-1-(2-oxopropyl)pyrimidin-4-yl]phenyl]acetamide;6-chloro-2-methylsulfanyl-3-(2-oxopropyl)pyrimidin-4-one;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 160796112
[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid
CID 67351915
N-[2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 166086414
N-(2-bromo-5-chlorophenyl)-3-chloropropanamide
CID 81263666
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-amino-N-(2-bromo-5-chlorophenyl)propanamide
CID 81270376
N-[2-[(2-bromo-5-chloroanilino)methyl]phenyl]acetamide
CID 81264520
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-methylpentanamide
CID 81272725

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159648764) is N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1.CC(=O)Nc1cc(Cl)ccc1Br.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is MRHJRUAUOSHRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BClNO3.C12H24B2O4.C8H7BrClNO/c1-9(18)17-12-8-10(16)6-7-11(12)15-19-13(2,3)14(4,5)20-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-5(12)11-8-4-6(10)2-3-7(8)9/h6-8H,1-5H3,(H,17,18);1-8H3;2-4H,1H3,(H,11,12).
What are the key properties of N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 798.03 g/mol, XLogP of 7.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)acetamide;N-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159648764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).