3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide

C15H9BrF3NO2 — CID 142795777

IUPAC3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(C=O)c(Br)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF3NO2/c16-13-9(7-21)4-5-11(14(20)22)12(13)8-2-1-3-10(6-8)15(17,18)19/h1-7H,(H2,20,22)
InChIKeyNGVGEJYDQJEBLA-UHFFFAOYSA-N
MW372.14 g/mol
LogP4.05
Rot. Bonds3

About 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide

3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 142795777) has the molecular formula C15H9BrF3NO2 and a molecular weight of 372.14 g/mol. Its IUPAC name is 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID142795777
Molecular FormulaC15H9BrF3NO2
Molecular Weight372.14 g/mol
Exact Mass370.98
IUPAC Name3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccc(C=O)c(Br)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H9BrF3NO2/c16-13-9(7-21)4-5-11(14(20)22)12(13)8-2-1-3-10(6-8)15(17,18)19/h1-7H,(H2,20,22)
InChIKeyNGVGEJYDQJEBLA-UHFFFAOYSA-N
XLogP4.05
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.14
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
4-chloro-2-[3-(trifluoromethyl)phenyl]benzaldehyde
CID 79018280
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586
2-[2-amino-5-chloro-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzaldehyde
CID 87618402
6-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 133089648
3-formyl-2,5-bis(trifluoromethyl)benzamide
CID 134638769
[2-amino-5-bromo-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
CID 10342391
2-[3-(trifluoromethyl)phenyl]-1H-indole-4-carboxamide
CID 22014955
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide (CID 142795777) is 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide is NC(=O)c1ccc(C=O)c(Br)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is NGVGEJYDQJEBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF3NO2/c16-13-9(7-21)4-5-11(14(20)22)12(13)8-2-1-3-10(6-8)15(17,18)19/h1-7H,(H2,20,22).
What are the key properties of 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide?
3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 372.14 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-formyl-2-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 142795777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).