N-diethylboranylbenzamide

C11H16BNO — CID 568799

IUPACN-diethylboranylbenzamide
SMILESCCB(CC)NC(=O)c1ccccc1
InChIInChI=1S/C11H16BNO/c1-3-12(4-2)13-11(14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyZKXZARVDUWXRDQ-UHFFFAOYSA-N
MW189.07 g/mol
LogP2.45
Rot. Bonds4

About N-diethylboranylbenzamide

N-diethylboranylbenzamide (PubChem CID 568799) has the molecular formula C11H16BNO and a molecular weight of 189.07 g/mol. Its IUPAC name is N-diethylboranylbenzamide.

Molecular Properties

Compound NameN-diethylboranylbenzamide
PubChem CID568799
Molecular FormulaC11H16BNO
Molecular Weight189.07 g/mol
Exact Mass189.13
IUPAC NameN-diethylboranylbenzamide
SMILESCCB(CC)NC(=O)c1ccccc1
InChIInChI=1S/C11H16BNO/c1-3-12(4-2)13-11(14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14)
InChIKeyZKXZARVDUWXRDQ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzohydrazide;propane
CID 90709051
N-ethylbenzamide
CID 160772566
N-ethylbenzamide;hydrochloride
CID 57444995
benzohydrazide;ethanol;hydrochloride
CID 70295048
N-methylbenzamide
CID 11954
benzohydrazide;molybdenum
CID 162076561
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N'-(2,2-dimethylbutanoyl)benzohydrazide
CID 129281767
N-(ethylcarbamoyl)benzamide
CID 23273840
[2-(benzamidomethyl)phenyl]boronic acid
CID 10244067
lithium;hydride;N-methylbenzamide
CID 173287348
N-methylbenzamide;molecular hydrogen
CID 142972595

Frequently Asked Questions

What is the IUPAC name of N-diethylboranylbenzamide?
The IUPAC name of N-diethylboranylbenzamide (CID 568799) is N-diethylboranylbenzamide.
What is the SMILES notation for N-diethylboranylbenzamide?
The canonical SMILES for N-diethylboranylbenzamide is CCB(CC)NC(=O)c1ccccc1.
What is the InChIKey of N-diethylboranylbenzamide?
The InChIKey is ZKXZARVDUWXRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BNO/c1-3-12(4-2)13-11(14)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-diethylboranylbenzamide?
N-diethylboranylbenzamide has a molecular weight of 189.07 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethylboranylbenzamide is sourced from PubChem (CID 568799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).