2-bromo-N-(2-tert-butylphenyl)butanamide

C14H20BrNO — CID 62855574

IUPAC2-bromo-N-(2-tert-butylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C14H20BrNO/c1-5-11(15)13(17)16-12-9-7-6-8-10(12)14(2,3)4/h6-9,11H,5H2,1-4H3,(H,16,17)
InChIKeyAXVFCKMSNGMLJF-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.10
Rot. Bonds3

About 2-bromo-N-(2-tert-butylphenyl)butanamide

2-bromo-N-(2-tert-butylphenyl)butanamide (PubChem CID 62855574) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-bromo-N-(2-tert-butylphenyl)butanamide.

Molecular Properties

Compound Name2-bromo-N-(2-tert-butylphenyl)butanamide
PubChem CID62855574
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-bromo-N-(2-tert-butylphenyl)butanamide
SMILESCCC(Br)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C14H20BrNO/c1-5-11(15)13(17)16-12-9-7-6-8-10(12)14(2,3)4/h6-9,11H,5H2,1-4H3,(H,16,17)
InChIKeyAXVFCKMSNGMLJF-UHFFFAOYSA-N
XLogP4.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-ethylsulfonylphenyl)butanamide
CID 62856138
N-(2-tert-butylphenyl)-2,3-dichloropropanamide
CID 67892267
N-[2-(2-amino-2-oxoethyl)phenyl]-2-bromobutanamide
CID 62856321
2-(2-bromobutanoylamino)benzamide
CID 23323526
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063
4-(2-tert-butylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496989
2-amino-N-(2-tert-butylphenyl)-3-methylbutanamide
CID 43702617
2-amino-N-(2-tert-butylphenyl)-2-phenylacetamide
CID 43702622
(2S)-2-amino-N-(2-tert-butylphenyl)-4-methylpentanamide;hydrochloride
CID 119399943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-tert-butylphenyl)butanamide?
The IUPAC name of 2-bromo-N-(2-tert-butylphenyl)butanamide (CID 62855574) is 2-bromo-N-(2-tert-butylphenyl)butanamide.
What is the SMILES notation for 2-bromo-N-(2-tert-butylphenyl)butanamide?
The canonical SMILES for 2-bromo-N-(2-tert-butylphenyl)butanamide is CCC(Br)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of 2-bromo-N-(2-tert-butylphenyl)butanamide?
The InChIKey is AXVFCKMSNGMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-5-11(15)13(17)16-12-9-7-6-8-10(12)14(2,3)4/h6-9,11H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-tert-butylphenyl)butanamide?
2-bromo-N-(2-tert-butylphenyl)butanamide has a molecular weight of 298.22 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-tert-butylphenyl)butanamide is sourced from PubChem (CID 62855574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).