6-iodo-2-nitro-3-(trifluoromethyl)benzamide

C8H4F3IN2O3 — CID 171017959

IUPAC6-iodo-2-nitro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(I)ccc(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H4F3IN2O3/c9-8(10,11)3-1-2-4(12)5(7(13)15)6(3)14(16)17/h1-2H,(H2,13,15)
InChIKeyYSOHCGFLIBBQBH-UHFFFAOYSA-N
MW360.03 g/mol
LogP2.32
Rot. Bonds2

About 6-iodo-2-nitro-3-(trifluoromethyl)benzamide

6-iodo-2-nitro-3-(trifluoromethyl)benzamide (PubChem CID 171017959) has the molecular formula C8H4F3IN2O3 and a molecular weight of 360.03 g/mol. Its IUPAC name is 6-iodo-2-nitro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name6-iodo-2-nitro-3-(trifluoromethyl)benzamide
PubChem CID171017959
Molecular FormulaC8H4F3IN2O3
Molecular Weight360.03 g/mol
Exact Mass359.92
IUPAC Name6-iodo-2-nitro-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1c(I)ccc(C(F)(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H4F3IN2O3/c9-8(10,11)3-1-2-4(12)5(7(13)15)6(3)14(16)17/h1-2H,(H2,13,15)
InChIKeyYSOHCGFLIBBQBH-UHFFFAOYSA-N
XLogP2.32
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-iodo-3-nitro-2-(trifluoromethyl)benzamide
CID 171018537
6-bromo-2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 171002482
2-iodo-6-nitro-4-(trifluoromethyl)benzamide
CID 171018413
6-cyano-3-iodo-2-nitrobenzamide
CID 171025880
3,6-difluoro-2-nitrobenzamide
CID 131169296
[2-nitro-3,6-bis(trifluoromethyl)phenyl]methanol
CID 134638915
2-nitro-3-(trifluoromethyl)benzoyl chloride
CID 131870239
2-formyl-6-iodo-3-nitrobenzamide
CID 171016348
[2-bromo-3-nitro-4-(trifluoromethyl)phenyl]methanamine
CID 171011627
1,2-dichloro-3-nitro-4-(trifluoromethyl)benzene
CID 15103062
2-chloro-3-iodo-6-nitrobenzamide
CID 171004630
2-hydroxy-2-[2-nitro-3-(trifluoromethyl)phenyl]acetic acid
CID 131870521

Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-nitro-3-(trifluoromethyl)benzamide?
The IUPAC name of 6-iodo-2-nitro-3-(trifluoromethyl)benzamide (CID 171017959) is 6-iodo-2-nitro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 6-iodo-2-nitro-3-(trifluoromethyl)benzamide?
The canonical SMILES for 6-iodo-2-nitro-3-(trifluoromethyl)benzamide is NC(=O)c1c(I)ccc(C(F)(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-iodo-2-nitro-3-(trifluoromethyl)benzamide?
The InChIKey is YSOHCGFLIBBQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2O3/c9-8(10,11)3-1-2-4(12)5(7(13)15)6(3)14(16)17/h1-2H,(H2,13,15).
What are the key properties of 6-iodo-2-nitro-3-(trifluoromethyl)benzamide?
6-iodo-2-nitro-3-(trifluoromethyl)benzamide has a molecular weight of 360.03 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-nitro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 171017959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).