4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

C15H14FIN2O — CID 78874285

IUPAC4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)cc2I)c(C)n1
InChIInChI=1S/C15H14FIN2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)12-5-4-11(16)7-13(12)17/h4-7H,1-3H3,(H,19,20)
InChIKeyBGUZHXPYZBRHNO-UHFFFAOYSA-N
MW384.19 g/mol
LogP4.00
Rot. Bonds2

About 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide

4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (PubChem CID 78874285) has the molecular formula C15H14FIN2O and a molecular weight of 384.19 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
PubChem CID78874285
Molecular FormulaC15H14FIN2O
Molecular Weight384.19 g/mol
Exact Mass384.01
IUPAC Name4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(F)cc2I)c(C)n1
InChIInChI=1S/C15H14FIN2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)12-5-4-11(16)7-13(12)17/h4-7H,1-3H3,(H,19,20)
InChIKeyBGUZHXPYZBRHNO-UHFFFAOYSA-N
XLogP4.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-5-nitro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78874217
3,4-difluoro-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 78838373
N-(2,4,6-trimethyl-3-pyridinyl)acetamide
CID 586045
4-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38915062
methyl 4-[(2,4,6-trimethyl-3-pyridinyl)carbamoyl]benzoate
CID 78838290
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
4-fluoro-2-iodo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 103642131
(4-fluoro-3,5-dimethylphenyl)-(4-fluoro-2-iodophenyl)methanone
CID 114029200
4-fluoro-2-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55766056
2-ethoxy-N-(2,4,6-trimethyl-3-pyridinyl)pyridine-3-carboxamide
CID 78838433
N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide (CID 78874285) is 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(F)cc2I)c(C)n1.
What is the InChIKey of 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
The InChIKey is BGUZHXPYZBRHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FIN2O/c1-8-6-9(2)18-10(3)14(8)19-15(20)12-5-4-11(16)7-13(12)17/h4-7H,1-3H3,(H,19,20).
What are the key properties of 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide?
4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide has a molecular weight of 384.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(2,4,6-trimethyl-3-pyridinyl)benzamide is sourced from PubChem (CID 78874285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).