3-formyl-2,5-bis(trifluoromethyl)benzamide

C10H5F6NO2 — CID 134638769

IUPAC3-formyl-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C=O)c1C(F)(F)F
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)5-1-4(3-18)7(10(14,15)16)6(2-5)8(17)19/h1-3H,(H2,17,19)
InChIKeyAKJHWTXZRZRZPS-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.64
Rot. Bonds2

About 3-formyl-2,5-bis(trifluoromethyl)benzamide

3-formyl-2,5-bis(trifluoromethyl)benzamide (PubChem CID 134638769) has the molecular formula C10H5F6NO2 and a molecular weight of 285.14 g/mol. Its IUPAC name is 3-formyl-2,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-formyl-2,5-bis(trifluoromethyl)benzamide
PubChem CID134638769
Molecular FormulaC10H5F6NO2
Molecular Weight285.14 g/mol
Exact Mass285.02
IUPAC Name3-formyl-2,5-bis(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(C=O)c1C(F)(F)F
InChIInChI=1S/C10H5F6NO2/c11-9(12,13)5-1-4(3-18)7(10(14,15)16)6(2-5)8(17)19/h1-3H,(H2,17,19)
InChIKeyAKJHWTXZRZRZPS-UHFFFAOYSA-N
XLogP2.64
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.64
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-cyano-3-formyl-5-(trifluoromethyl)benzamide
CID 171011794
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
4-formyl-2,5-bis(trifluoromethyl)benzamide
CID 119008889
2-cyano-4-formyl-3-(trifluoromethyl)benzamide
CID 171011932
3-(2-chloroacetyl)-2-iodo-5-(trifluoromethyl)benzaldehyde
CID 171021276
3-(2-bromoacetyl)-2-iodo-5-(trifluoromethyl)benzaldehyde
CID 171021391
2-bromo-3,5-bis(trifluoromethyl)benzamide
CID 134640617
3-formyl-5-nitro-2-(trifluoromethyl)benzoyl chloride
CID 171014775
3-(2-bromoacetyl)-5-iodo-2-(trifluoromethyl)benzaldehyde
CID 171021631
2,3-dimethyl-5-(trifluoromethyl)benzaldehyde
CID 162568295
2-formyl-6-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171015011

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2,5-bis(trifluoromethyl)benzamide?
The IUPAC name of 3-formyl-2,5-bis(trifluoromethyl)benzamide (CID 134638769) is 3-formyl-2,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for 3-formyl-2,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for 3-formyl-2,5-bis(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(C=O)c1C(F)(F)F.
What is the InChIKey of 3-formyl-2,5-bis(trifluoromethyl)benzamide?
The InChIKey is AKJHWTXZRZRZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6NO2/c11-9(12,13)5-1-4(3-18)7(10(14,15)16)6(2-5)8(17)19/h1-3H,(H2,17,19).
What are the key properties of 3-formyl-2,5-bis(trifluoromethyl)benzamide?
3-formyl-2,5-bis(trifluoromethyl)benzamide has a molecular weight of 285.14 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 134638769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).