N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide

C11H14BNO3 — CID 155761951

IUPACN-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(B2OCCCO2)cc1
InChIInChI=1S/C11H14BNO3/c1-9(14)13-11-5-3-10(4-6-11)12-15-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQXFQKKBTEBQNPR-UHFFFAOYSA-N
MW219.05 g/mol
LogP0.78
Rot. Bonds2

About N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide

N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide (PubChem CID 155761951) has the molecular formula C11H14BNO3 and a molecular weight of 219.05 g/mol. Its IUPAC name is N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide
PubChem CID155761951
Molecular FormulaC11H14BNO3
Molecular Weight219.05 g/mol
Exact Mass219.11
IUPAC NameN-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(B2OCCCO2)cc1
InChIInChI=1S/C11H14BNO3/c1-9(14)13-11-5-3-10(4-6-11)12-15-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14)
InChIKeyQXFQKKBTEBQNPR-UHFFFAOYSA-N
XLogP0.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(oxolane-2-carbonyl)phenyl]acetamide
CID 43160165
N-(4-methylphenyl)acetamide
CID 7684
N-(4-iodophenyl)acetamide
CID 12147
N-(4-hydroxyphenyl)acetamide;dihydrate
CID 140999210
N-(4-hydroxyphenyl)acetamide;iron
CID 69304461
3-(4-acetamidoanilino)-2-methylbut-2-enoic acid
CID 69497054
1-(3,4-dimethylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 139592799
N-(4-acetamidophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989746
N'-(4-acetamidophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7379139
N-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]acetamide
CID 66686958
bis(N-(4-hydroxyphenyl)acetamide);morpholine
CID 86210685
methanamine;N-(4-methylphenyl)acetamide
CID 142152295

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide (CID 155761951) is N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(B2OCCCO2)cc1.
What is the InChIKey of N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide?
The InChIKey is QXFQKKBTEBQNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BNO3/c1-9(14)13-11-5-3-10(4-6-11)12-15-7-2-8-16-12/h3-6H,2,7-8H2,1H3,(H,13,14).
What are the key properties of N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide?
N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide has a molecular weight of 219.05 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,2-dioxaborinan-2-yl)phenyl]acetamide is sourced from PubChem (CID 155761951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).