5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide

C15H12Br2FNO — CID 107233860

IUPAC5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(CBr)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H12Br2FNO/c16-8-10-1-3-11(4-2-10)9-19-15(20)13-7-12(17)5-6-14(13)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLFXGDTMGSOJKPA-UHFFFAOYSA-N
MW401.07 g/mol
LogP4.41
Rot. Bonds4

About 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide

5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide (PubChem CID 107233860) has the molecular formula C15H12Br2FNO and a molecular weight of 401.07 g/mol. Its IUPAC name is 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
PubChem CID107233860
Molecular FormulaC15H12Br2FNO
Molecular Weight401.07 g/mol
Exact Mass398.93
IUPAC Name5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1ccc(CBr)cc1)c1cc(Br)ccc1F
InChIInChI=1S/C15H12Br2FNO/c16-8-10-1-3-11(4-2-10)9-19-15(20)13-7-12(17)5-6-14(13)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLFXGDTMGSOJKPA-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
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

5-bromo-2-fluoro-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]benzamide
CID 34558079
5-bromo-2-fluoro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8545995
4-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylbenzamide
CID 107233720
5-bromo-2-fluoro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292159
4-bromo-2-fluoro-N-[(4-hydroxyphenyl)methyl]benzamide
CID 115577900
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
5-bromo-N-[(2-bromophenyl)methyl]-2-fluorobenzamide
CID 60739201
N-[(4-bromophenyl)methyl]-2,4,6-trifluorobenzamide
CID 65099122
N-(2-amino-2-oxoethyl)-5-bromo-2-fluorobenzamide
CID 9296512
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
N-[[4-(bromomethyl)phenyl]methyl]-2-(4-bromophenyl)acetamide
CID 107233703
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide?
The IUPAC name of 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide (CID 107233860) is 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide is O=C(NCc1ccc(CBr)cc1)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide?
The InChIKey is LFXGDTMGSOJKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO/c16-8-10-1-3-11(4-2-10)9-19-15(20)13-7-12(17)5-6-14(13)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide?
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide has a molecular weight of 401.07 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 107233860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).