2,3,5-trifluorobenzene-1,4-dicarboxamide

C8H5F3N2O2 — CID 87161201

IUPAC2,3,5-trifluorobenzene-1,4-dicarboxamide
SMILESNC(=O)c1cc(F)c(C(N)=O)c(F)c1F
InChIInChI=1S/C8H5F3N2O2/c9-3-1-2(7(12)14)5(10)6(11)4(3)8(13)15/h1H,(H2,12,14)(H2,13,15)
InChIKeyBLPXIRBDUNKPML-UHFFFAOYSA-N
MW218.13 g/mol
LogP0.30
Rot. Bonds2

About 2,3,5-trifluorobenzene-1,4-dicarboxamide

2,3,5-trifluorobenzene-1,4-dicarboxamide (PubChem CID 87161201) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 2,3,5-trifluorobenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2,3,5-trifluorobenzene-1,4-dicarboxamide
PubChem CID87161201
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name2,3,5-trifluorobenzene-1,4-dicarboxamide
SMILESNC(=O)c1cc(F)c(C(N)=O)c(F)c1F
InChIInChI=1S/C8H5F3N2O2/c9-3-1-2(7(12)14)5(10)6(11)4(3)8(13)15/h1H,(H2,12,14)(H2,13,15)
InChIKeyBLPXIRBDUNKPML-UHFFFAOYSA-N
XLogP0.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2,6-difluorobenzamide
CID 22478130
2-amino-4,5-difluorobenzamide
CID 16640510
3,4,5-trifluoro-2-methylbenzamide
CID 87559978
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
2,3-difluoro-5-iodobenzamide
CID 121345074
3-carbamoyl-2,4-difluorobenzoic acid
CID 151336938
2,4,5-trifluoro-3-(fluoromethoxy)benzamide
CID 86588500
2,6-difluoro-4-(morpholine-4-carbonyl)benzamide
CID 68557409
4-bromo-2,5-difluorobenzamide
CID 53418047
4-chloro-3,6-difluoro-2-methylbenzamide
CID 177366314
5-cyano-2,3-difluorobenzamide
CID 131008452
[amino-(2,3,4,5-tetrafluorophenyl)methylidene]azanium
CID 6347219

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluorobenzene-1,4-dicarboxamide?
The IUPAC name of 2,3,5-trifluorobenzene-1,4-dicarboxamide (CID 87161201) is 2,3,5-trifluorobenzene-1,4-dicarboxamide.
What is the SMILES notation for 2,3,5-trifluorobenzene-1,4-dicarboxamide?
The canonical SMILES for 2,3,5-trifluorobenzene-1,4-dicarboxamide is NC(=O)c1cc(F)c(C(N)=O)c(F)c1F.
What is the InChIKey of 2,3,5-trifluorobenzene-1,4-dicarboxamide?
The InChIKey is BLPXIRBDUNKPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c9-3-1-2(7(12)14)5(10)6(11)4(3)8(13)15/h1H,(H2,12,14)(H2,13,15).
What are the key properties of 2,3,5-trifluorobenzene-1,4-dicarboxamide?
2,3,5-trifluorobenzene-1,4-dicarboxamide has a molecular weight of 218.13 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluorobenzene-1,4-dicarboxamide is sourced from PubChem (CID 87161201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).