4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide

C14H9BrF3NO — CID 102850799

IUPAC4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(CBr)cc1
InChIInChI=1S/C14H9BrF3NO/c15-7-8-1-3-9(4-2-8)14(20)19-11-6-5-10(16)12(17)13(11)18/h1-6H,7H2,(H,19,20)
InChIKeyRJJVAHOFSHVAKY-UHFFFAOYSA-N
MW344.13 g/mol
LogP4.25
Rot. Bonds3

About 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide

4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide (PubChem CID 102850799) has the molecular formula C14H9BrF3NO and a molecular weight of 344.13 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
PubChem CID102850799
Molecular FormulaC14H9BrF3NO
Molecular Weight344.13 g/mol
Exact Mass342.98
IUPAC Name4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(CBr)cc1
InChIInChI=1S/C14H9BrF3NO/c15-7-8-1-3-9(4-2-8)14(20)19-11-6-5-10(16)12(17)13(11)18/h1-6H,7H2,(H,19,20)
InChIKeyRJJVAHOFSHVAKY-UHFFFAOYSA-N
XLogP4.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.13
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 2110476
3-[[4-(bromomethyl)benzoyl]amino]-4-fluorobenzamide
CID 102851126
1-N-phenyl-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049282
4-hydrazinyl-N-(2,3,4-trifluorophenyl)benzamide
CID 62237967
4-(bromomethyl)-N-(3-fluoro-4-pyridinyl)benzamide
CID 107594820
4-benzamido-N-(2,3,4-trifluorophenyl)benzamide
CID 30705483
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738
4-N-(2-methylphenyl)-1-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109049340
4-propoxy-N-(2,3,4-trifluorophenyl)benzamide
CID 9095277
3-fluoro-4-methyl-N-(2,3,4-trifluorophenyl)benzamide
CID 26690686
1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046923
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide?
The IUPAC name of 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide (CID 102850799) is 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide?
The canonical SMILES for 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide?
The InChIKey is RJJVAHOFSHVAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF3NO/c15-7-8-1-3-9(4-2-8)14(20)19-11-6-5-10(16)12(17)13(11)18/h1-6H,7H2,(H,19,20).
What are the key properties of 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide?
4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide has a molecular weight of 344.13 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2,3,4-trifluorophenyl)benzamide is sourced from PubChem (CID 102850799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).