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

C8H4F3IN2O3 — CID 171018537

IUPAC4-iodo-3-nitro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(I)c([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C8H4F3IN2O3/c9-8(10,11)5-3(7(13)15)1-2-4(12)6(5)14(16)17/h1-2H,(H2,13,15)
InChIKeyUPOGSSGWPSQUBO-UHFFFAOYSA-N
MW360.03 g/mol
LogP2.32
Rot. Bonds2

About 4-iodo-3-nitro-2-(trifluoromethyl)benzamide

4-iodo-3-nitro-2-(trifluoromethyl)benzamide (PubChem CID 171018537) has the molecular formula C8H4F3IN2O3 and a molecular weight of 360.03 g/mol. Its IUPAC name is 4-iodo-3-nitro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-iodo-3-nitro-2-(trifluoromethyl)benzamide
PubChem CID171018537
Molecular FormulaC8H4F3IN2O3
Molecular Weight360.03 g/mol
Exact Mass359.92
IUPAC Name4-iodo-3-nitro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(I)c([N+](=O)[O-])c1C(F)(F)F
InChIInChI=1S/C8H4F3IN2O3/c9-8(10,11)5-3(7(13)15)1-2-4(12)6(5)14(16)17/h1-2H,(H2,13,15)
InChIKeyUPOGSSGWPSQUBO-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

1-fluoro-4-iodo-3-nitro-2-(trifluoromethyl)benzene
CID 171013038
6-iodo-2-nitro-3-(trifluoromethyl)benzamide
CID 171017959
3-nitro-2-(trifluoromethyl)benzamide
CID 131870243
2-bromo-4-iodo-3-(trifluoromethyl)benzamide
CID 171002470
2-fluoro-4-iodo-3-nitrobenzoyl chloride
CID 171013171
4-hydroxy-2,3-bis(trifluoromethyl)benzamide
CID 118854529
4-(2-bromoacetyl)-2-nitro-3-(trifluoromethyl)benzonitrile
CID 170996585
5-chloro-3-iodo-2-nitrobenzamide
CID 171005064
6-cyano-3-iodo-2-nitrobenzamide
CID 171025880
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
2-nitro-3-sulfanylbenzamide
CID 151776475

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-nitro-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-iodo-3-nitro-2-(trifluoromethyl)benzamide (CID 171018537) is 4-iodo-3-nitro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-iodo-3-nitro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-iodo-3-nitro-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(I)c([N+](=O)[O-])c1C(F)(F)F.
What is the InChIKey of 4-iodo-3-nitro-2-(trifluoromethyl)benzamide?
The InChIKey is UPOGSSGWPSQUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3IN2O3/c9-8(10,11)5-3(7(13)15)1-2-4(12)6(5)14(16)17/h1-2H,(H2,13,15).
What are the key properties of 4-iodo-3-nitro-2-(trifluoromethyl)benzamide?
4-iodo-3-nitro-2-(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 4-iodo-3-nitro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171018537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).