3-fluoro-5-(iodoamino)-N-methylbenzamide

C8H8FIN2O — CID 138534840

IUPAC3-fluoro-5-(iodoamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(NI)c1
InChIInChI=1S/C8H8FIN2O/c1-11-8(13)5-2-6(9)4-7(3-5)12-10/h2-4,12H,1H3,(H,11,13)
InChIKeyFOXBBRDMTZAJDT-UHFFFAOYSA-N
MW294.07 g/mol
LogP1.95
Rot. Bonds2

About 3-fluoro-5-(iodoamino)-N-methylbenzamide

3-fluoro-5-(iodoamino)-N-methylbenzamide (PubChem CID 138534840) has the molecular formula C8H8FIN2O and a molecular weight of 294.07 g/mol. Its IUPAC name is 3-fluoro-5-(iodoamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-fluoro-5-(iodoamino)-N-methylbenzamide
PubChem CID138534840
Molecular FormulaC8H8FIN2O
Molecular Weight294.07 g/mol
Exact Mass293.97
IUPAC Name3-fluoro-5-(iodoamino)-N-methylbenzamide
SMILESCNC(=O)c1cc(F)cc(NI)c1
InChIInChI=1S/C8H8FIN2O/c1-11-8(13)5-2-6(9)4-7(3-5)12-10/h2-4,12H,1H3,(H,11,13)
InChIKeyFOXBBRDMTZAJDT-UHFFFAOYSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
methane;3,4,5-trifluoro-N-methylbenzamide
CID 162072247
3-acetamido-5-fluoro-N-hydroxybenzamide
CID 87663336
N,3-dimethyl-5-(methylamino)benzamide
CID 88971249
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
3,5-diacetyl-N-methylbenzamide;ethane
CID 142854666
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221
ethane;2-fluoro-N-methylbenzamide;3-fluoro-N-methylbenzamide
CID 145062937
2,5-difluoro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 78802909
3,5-difluoro-N-(4-iodophenyl)benzamide
CID 3874548

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(iodoamino)-N-methylbenzamide?
The IUPAC name of 3-fluoro-5-(iodoamino)-N-methylbenzamide (CID 138534840) is 3-fluoro-5-(iodoamino)-N-methylbenzamide.
What is the SMILES notation for 3-fluoro-5-(iodoamino)-N-methylbenzamide?
The canonical SMILES for 3-fluoro-5-(iodoamino)-N-methylbenzamide is CNC(=O)c1cc(F)cc(NI)c1.
What is the InChIKey of 3-fluoro-5-(iodoamino)-N-methylbenzamide?
The InChIKey is FOXBBRDMTZAJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O/c1-11-8(13)5-2-6(9)4-7(3-5)12-10/h2-4,12H,1H3,(H,11,13).
What are the key properties of 3-fluoro-5-(iodoamino)-N-methylbenzamide?
3-fluoro-5-(iodoamino)-N-methylbenzamide has a molecular weight of 294.07 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(iodoamino)-N-methylbenzamide is sourced from PubChem (CID 138534840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).