4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide

C16H14Br2FNO — CID 105060193

IUPAC4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
SMILESCC(CBr)(NC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H14Br2FNO/c1-16(10-17,11-5-3-2-4-6-11)20-15(21)13-8-7-12(18)9-14(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyACGYAHBOIMQHFI-UHFFFAOYSA-N
MW415.10 g/mol
LogP4.63
Rot. Bonds4

About 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide

4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide (PubChem CID 105060193) has the molecular formula C16H14Br2FNO and a molecular weight of 415.10 g/mol. Its IUPAC name is 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
PubChem CID105060193
Molecular FormulaC16H14Br2FNO
Molecular Weight415.10 g/mol
Exact Mass412.94
IUPAC Name4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide
SMILESCC(CBr)(NC(=O)c1ccc(Br)cc1F)c1ccccc1
InChIInChI=1S/C16H14Br2FNO/c1-16(10-17,11-5-3-2-4-6-11)20-15(21)13-8-7-12(18)9-14(13)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyACGYAHBOIMQHFI-UHFFFAOYSA-N
XLogP4.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 54.63
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

4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107
N-(1-bromo-2-phenylpropan-2-yl)-2-chloro-4-methylbenzamide
CID 106864081
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-(1-bromo-2-phenylpropan-2-yl)-2,4-dimethylbenzamide
CID 105060041
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
N-(1-amino-2-methylpropan-2-yl)-4-bromo-2-fluorobenzamide
CID 63193839
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994349
4-bromo-N-(1-bromo-3-methylpentan-3-yl)-2-fluorobenzamide
CID 106169569
N-(1-amino-2-phenylpropan-2-yl)-2-fluorobenzamide
CID 105060348
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
4-bromo-N-(3-carbamothioylpentan-3-yl)-2-fluorobenzamide
CID 61121380
N-(1-bromo-2-methylpropan-2-yl)-2,4-difluorobenzamide
CID 114308135

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide (CID 105060193) is 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide is CC(CBr)(NC(=O)c1ccc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide?
The InChIKey is ACGYAHBOIMQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2FNO/c1-16(10-17,11-5-3-2-4-6-11)20-15(21)13-8-7-12(18)9-14(13)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide?
4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide has a molecular weight of 415.10 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-bromo-2-phenylpropan-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 105060193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).