5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

C10H8F3IN2O2 — CID 171920509

IUPAC5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCNC(=O)c1cc(I)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3IN2O2/c1-15-8(17)6-4-5(14)2-3-7(6)16-9(18)10(11,12)13/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyGTELVNYELHWJKI-UHFFFAOYSA-N
MW372.08 g/mol
LogP2.15
Rot. Bonds2

About 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide

5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 171920509) has the molecular formula C10H8F3IN2O2 and a molecular weight of 372.08 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound Name5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID171920509
Molecular FormulaC10H8F3IN2O2
Molecular Weight372.08 g/mol
Exact Mass371.96
IUPAC Name5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCNC(=O)c1cc(I)ccc1NC(=O)C(F)(F)F
InChIInChI=1S/C10H8F3IN2O2/c1-15-8(17)6-4-5(14)2-3-7(6)16-9(18)10(11,12)13/h2-4H,1H3,(H,15,17)(H,16,18)
InChIKeyGTELVNYELHWJKI-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 176806470
2,5-diiodo-N-methylbenzamide
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CID 167460052
5-iodo-2-(methylcarbamoylamino)benzoic acid
CID 63111629
2-[[2-(ethylamino)-2-methylpropanoyl]amino]-5-iodobenzoic acid
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N-(4-iodo-2-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62836927
2,2,2-trifluoro-N-[4-(hydroxymethyl)-2-iodophenyl]acetamide
CID 15953168
2-(2,2-dimethylbutanoylamino)-5-iodobenzoic acid
CID 55178842
2-bromo-4-iodo-N-methylbenzamide
CID 155462102
N-(2-benzoyl-4-methylphenyl)-2,2,2-trifluoroacetamide
CID 4702291
N-methyl-4-morpholin-4-yl-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 58805177
2,2,2-trifluoro-N-[4-(2-hydroxyethyl)-2-iodophenyl]acetamide
CID 24795536

Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 171920509) is 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is CNC(=O)c1cc(I)ccc1NC(=O)C(F)(F)F.
What is the InChIKey of 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is GTELVNYELHWJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3IN2O2/c1-15-8(17)6-4-5(14)2-3-7(6)16-9(18)10(11,12)13/h2-4H,1H3,(H,15,17)(H,16,18).
What are the key properties of 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide?
5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 372.08 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 171920509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).