4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide

C15H12BrF2NO — CID 102851692

IUPAC4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc(CBr)cc1
InChIInChI=1S/C15H12BrF2NO/c16-8-10-1-3-11(4-2-10)15(20)19-9-12-7-13(17)5-6-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLRAHCQTVXNTKLI-UHFFFAOYSA-N
MW340.17 g/mol
LogP3.79
Rot. Bonds4

About 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide

4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide (PubChem CID 102851692) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
PubChem CID102851692
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
SMILESO=C(NCc1cc(F)ccc1F)c1ccc(CBr)cc1
InChIInChI=1S/C15H12BrF2NO/c16-8-10-1-3-11(4-2-10)15(20)19-9-12-7-13(17)5-6-14(12)18/h1-7H,8-9H2,(H,19,20)
InChIKeyLRAHCQTVXNTKLI-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 53.79
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-(chloromethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63795512
N-[(2,5-difluorophenyl)methyl]-4-hydrazinylbenzamide
CID 63791568
N-[(2,5-difluorophenyl)methyl]-4-(methylamino)benzamide
CID 63790510
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-3-carboxamide
CID 66464932
3-bromo-N-[(2,5-difluorophenyl)methyl]-4-methoxybenzamide
CID 63372843
4-(chloromethyl)-N-[(2,4-difluorophenyl)methyl]benzamide
CID 62228707
N-[[4-(bromomethyl)phenyl]methyl]-4-fluoro-3-methylbenzamide
CID 107233716
4-(bromomethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 113241883
3-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63793552
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-iodobenzamide
CID 103222099

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide (CID 102851692) is 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide is O=C(NCc1cc(F)ccc1F)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
The InChIKey is LRAHCQTVXNTKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-8-10-1-3-11(4-2-10)15(20)19-9-12-7-13(17)5-6-14(12)18/h1-7H,8-9H2,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide?
4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide has a molecular weight of 340.17 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(2,5-difluorophenyl)methyl]benzamide is sourced from PubChem (CID 102851692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).