2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide

C15H21BrFNO — CID 12760511

IUPAC2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(NC(=O)C(Br)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H21BrFNO/c1-14(2,3)12(16)13(19)18-15(4,5)10-6-8-11(17)9-7-10/h6-9,12H,1-5H3,(H,18,19)
InChIKeyAJBZJOLOZCKPSG-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.99
Rot. Bonds3

About 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide

2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide (PubChem CID 12760511) has the molecular formula C15H21BrFNO and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
PubChem CID12760511
Molecular FormulaC15H21BrFNO
Molecular Weight330.24 g/mol
Exact Mass329.08
IUPAC Name2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(NC(=O)C(Br)C(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H21BrFNO/c1-14(2,3)12(16)13(19)18-15(4,5)10-6-8-11(17)9-7-10/h6-9,12H,1-5H3,(H,18,19)
InChIKeyAJBZJOLOZCKPSG-UHFFFAOYSA-N
XLogP3.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.99
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

N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-[2-(4-fluorophenyl)propan-2-yl]-3-oxobutanamide
CID 110470666
1-(2,4-difluorophenyl)-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 113216228
(2R)-2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 103928581
2-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 43697992
1-cyclopentyl-3-[2-(4-fluorophenyl)propan-2-yl]urea
CID 110469730
N-[2-(4-fluorophenyl)propan-2-yl]-4-methylpiperazine-1-carboxamide
CID 110469745
1-[2-(4-fluorophenyl)propan-2-yl]-3-pyridin-4-ylurea
CID 110469738
2-[(2Z,4Z)-1-chloro-5-methylhepta-2,4-dien-4-yl]oxy-N-[2-(4-fluorophenyl)propan-2-yl]butanamide
CID 134333503
2-amino-N-[2-(4-fluorophenyl)propan-2-yl]pyridine-3-carboxamide
CID 82546189
N-[2-(4-fluorophenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475476
2,5-dichloro-N-[2-(4-fluorophenyl)propan-2-yl]benzamide
CID 110440797

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide (CID 12760511) is 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide is CC(C)(NC(=O)C(Br)C(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
The InChIKey is AJBZJOLOZCKPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO/c1-14(2,3)12(16)13(19)18-15(4,5)10-6-8-11(17)9-7-10/h6-9,12H,1-5H3,(H,18,19).
What are the key properties of 2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide?
2-bromo-N-[2-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 330.24 g/mol, XLogP of 3.99, 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-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 12760511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).