3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide

C15H12Br2FNO — CID 114308397

IUPAC3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c16-12-6-11(7-13(18)8-12)15(20)19-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyAFHRBWDIUJXNTR-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.45
Rot. Bonds4

About 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide

3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide (PubChem CID 114308397) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
PubChem CID114308397
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
SMILESO=C(NCC(Br)c1ccccc1)c1cc(F)cc(Br)c1
InChIInChI=1S/C15H12Br2FNO/c16-12-6-11(7-13(18)8-12)15(20)19-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20)
InChIKeyAFHRBWDIUJXNTR-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.07
LogP ≤ 54.45
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

2,5-dibromo-N-(2-bromo-2-phenylethyl)benzamide
CID 114375751
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
CID 103770519
N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282
[(1R)-2-[(3,5-difluorobenzoyl)amino]-1-phenylethyl]-dimethylazanium
CID 7897281
3-bromo-N-(2-bromo-2-phenylethyl)-4-methoxybenzamide
CID 114308336
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
3-bromo-5-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 110410177
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide (CID 114308397) is 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide is O=C(NCC(Br)c1ccccc1)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide?
The InChIKey is AFHRBWDIUJXNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c16-12-6-11(7-13(18)8-12)15(20)19-9-14(17)10-4-2-1-3-5-10/h1-8,14H,9H2,(H,19,20).
What are the key properties of 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide?
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide is sourced from PubChem (CID 114308397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).