N-bromo-N-tert-butylbenzamide

C11H14BrNO — CID 141466989

IUPACN-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)N(Br)C(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13(12)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyPCKPPUNQARUWMI-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.24
Rot. Bonds1

About N-bromo-N-tert-butylbenzamide

N-bromo-N-tert-butylbenzamide (PubChem CID 141466989) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-bromo-N-tert-butylbenzamide.

Molecular Properties

Compound NameN-bromo-N-tert-butylbenzamide
PubChem CID141466989
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)N(Br)C(=O)c1ccccc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13(12)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyPCKPPUNQARUWMI-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-bromo-N-tert-butylbenzamide?
The IUPAC name of N-bromo-N-tert-butylbenzamide (CID 141466989) is N-bromo-N-tert-butylbenzamide.
What is the SMILES notation for N-bromo-N-tert-butylbenzamide?
The canonical SMILES for N-bromo-N-tert-butylbenzamide is CC(C)(C)N(Br)C(=O)c1ccccc1.
What is the InChIKey of N-bromo-N-tert-butylbenzamide?
The InChIKey is PCKPPUNQARUWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,3)13(12)10(14)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of N-bromo-N-tert-butylbenzamide?
N-bromo-N-tert-butylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-tert-butylbenzamide is sourced from PubChem (CID 141466989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).