2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

C11H11F3INO — CID 61381239

IUPAC2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccccc1I
InChIInChI=1S/C11H11F3INO/c1-16(7-6-11(12,13)14)10(17)8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3
InChIKeyXYWYBSKTZSPQIK-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.32
Rot. Bonds3

About 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide

2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 61381239) has the molecular formula C11H11F3INO and a molecular weight of 357.11 g/mol. Its IUPAC name is 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID61381239
Molecular FormulaC11H11F3INO
Molecular Weight357.11 g/mol
Exact Mass356.98
IUPAC Name2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccccc1I
InChIInChI=1S/C11H11F3INO/c1-16(7-6-11(12,13)14)10(17)8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3
InChIKeyXYWYBSKTZSPQIK-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-2-iodo-N-methylbenzamide
CID 81483846
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
N-(5-hydroxypentyl)-2-iodo-N-methylbenzamide
CID 107199930
2-hydroxy-5-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 113226775
2-iodo-N-[3-[(2-iodobenzoyl)-methylamino]propyl]benzamide
CID 43833989
2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 103800115
N-but-2-ynyl-2-iodo-N-methylbenzamide
CID 14943568
5-bromo-N-methyl-N-[2-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]furan-2-carboxamide
CID 56548421
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840
1-N,2-N-bis(2-hydroxyethyl)-1-N,2-N-dimethylbenzene-1,2-dicarboxamide
CID 54303134
5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 75475898

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide (CID 61381239) is 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is CN(CCC(F)(F)F)C(=O)c1ccccc1I.
What is the InChIKey of 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is XYWYBSKTZSPQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3INO/c1-16(7-6-11(12,13)14)10(17)8-4-2-3-5-9(8)15/h2-5H,6-7H2,1H3.
What are the key properties of 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide?
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 357.11 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 61381239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).