4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide

C12H13F3INO — CID 171921541

IUPAC4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C12H13F3INO/c1-7(2)6-17-11(18)9-4-3-8(16)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyPPABROOOCDEBTJ-UHFFFAOYSA-N
MW371.14 g/mol
LogP3.70
Rot. Bonds3

About 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide

4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide (PubChem CID 171921541) has the molecular formula C12H13F3INO and a molecular weight of 371.14 g/mol. Its IUPAC name is 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
PubChem CID171921541
Molecular FormulaC12H13F3INO
Molecular Weight371.14 g/mol
Exact Mass371.00
IUPAC Name4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(I)cc1C(F)(F)F
InChIInChI=1S/C12H13F3INO/c1-7(2)6-17-11(18)9-4-3-8(16)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18)
InChIKeyPPABROOOCDEBTJ-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(2-methylpropyl)benzamide
CID 103600394
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
4-bromo-N-(2-hydroxy-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 103925349
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
N-cyclopentyl-4-iodo-2-(trifluoromethyl)benzamide
CID 171921545
2-methoxy-N-(2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 167264759
6-(3-fluoroanilino)-N-(2-methylpropyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69356121
N-(3-aminobutyl)-4-bromo-2-(trifluoromethyl)benzamide
CID 107333127
4,5-dichloro-1-N,2-N-bis(2-methylpropyl)benzene-1,2-dicarboxamide
CID 23967386
4-bromo-N-(4-chloro-2-ethylbutyl)-2-(trifluoromethyl)benzamide
CID 107333565

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide (CID 171921541) is 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide is CC(C)CNC(=O)c1ccc(I)cc1C(F)(F)F.
What is the InChIKey of 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide?
The InChIKey is PPABROOOCDEBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3INO/c1-7(2)6-17-11(18)9-4-3-8(16)5-10(9)12(13,14)15/h3-5,7H,6H2,1-2H3,(H,17,18).
What are the key properties of 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide?
4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide has a molecular weight of 371.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(2-methylpropyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 171921541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).