benzamide;2,3,4-trifluorobenzoic acid

C14H10F3NO3 — CID 158159463

IUPACbenzamide;2,3,4-trifluorobenzoic acid
SMILESNC(=O)c1ccccc1.O=C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F3O2.C7H7NO/c8-4-2-1-3(7(11)12)5(9)6(4)10;8-7(9)6-4-2-1-3-5-6/h1-2H,(H,11,12);1-5H,(H2,8,9)
InChIKeyFWCCRKMZGFNBNG-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.59
Rot. Bonds2

About benzamide;2,3,4-trifluorobenzoic acid

benzamide;2,3,4-trifluorobenzoic acid (PubChem CID 158159463) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is benzamide;2,3,4-trifluorobenzoic acid.

Molecular Properties

Compound Namebenzamide;2,3,4-trifluorobenzoic acid
PubChem CID158159463
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Namebenzamide;2,3,4-trifluorobenzoic acid
SMILESNC(=O)c1ccccc1.O=C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C7H3F3O2.C7H7NO/c8-4-2-1-3(7(11)12)5(9)6(4)10;8-7(9)6-4-2-1-3-5-6/h1-2H,(H,11,12);1-5H,(H2,8,9)
InChIKeyFWCCRKMZGFNBNG-UHFFFAOYSA-N
XLogP2.59
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938
3-carbamoyl-2-fluorobenzoic acid
CID 91004020
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
benzamide;trifluoroborane
CID 158302663
aniline;2-benzyl-3,4-difluorobenzoic acid;2,3,4-trifluorobenzoic acid
CID 159365610
benzamide;ethene
CID 143479548
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
sodium;benzamide;benzoic acid;hydride
CID 175327257
4-carbamoyl-3-fluoro-2-methylbenzoic acid
CID 165441853
(2-fluorophenyl)-(2,3,4-trifluorophenyl)methanone
CID 55181517
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065

Frequently Asked Questions

What is the IUPAC name of benzamide;2,3,4-trifluorobenzoic acid?
The IUPAC name of benzamide;2,3,4-trifluorobenzoic acid (CID 158159463) is benzamide;2,3,4-trifluorobenzoic acid.
What is the SMILES notation for benzamide;2,3,4-trifluorobenzoic acid?
The canonical SMILES for benzamide;2,3,4-trifluorobenzoic acid is NC(=O)c1ccccc1.O=C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of benzamide;2,3,4-trifluorobenzoic acid?
The InChIKey is FWCCRKMZGFNBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3O2.C7H7NO/c8-4-2-1-3(7(11)12)5(9)6(4)10;8-7(9)6-4-2-1-3-5-6/h1-2H,(H,11,12);1-5H,(H2,8,9).
What are the key properties of benzamide;2,3,4-trifluorobenzoic acid?
benzamide;2,3,4-trifluorobenzoic acid has a molecular weight of 297.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;2,3,4-trifluorobenzoic acid is sourced from PubChem (CID 158159463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).