4-bromo-N-tert-butylbenzamide

C11H14BrNO — CID 603258

IUPAC4-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKeyFZMGMDLGMVXWCF-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.98
Rot. Bonds1

About 4-bromo-N-tert-butylbenzamide

4-bromo-N-tert-butylbenzamide (PubChem CID 603258) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 4-bromo-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-bromo-N-tert-butylbenzamide
PubChem CID603258
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name4-bromo-N-tert-butylbenzamide
SMILESCC(C)(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKeyFZMGMDLGMVXWCF-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butylbenzamide?
The IUPAC name of 4-bromo-N-tert-butylbenzamide (CID 603258) is 4-bromo-N-tert-butylbenzamide.
What is the SMILES notation for 4-bromo-N-tert-butylbenzamide?
The canonical SMILES for 4-bromo-N-tert-butylbenzamide is CC(C)(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-tert-butylbenzamide?
The InChIKey is FZMGMDLGMVXWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14).
What are the key properties of 4-bromo-N-tert-butylbenzamide?
4-bromo-N-tert-butylbenzamide has a molecular weight of 256.14 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butylbenzamide is sourced from PubChem (CID 603258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).