4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide

C14H12FIN2O — CID 113232081

IUPAC4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H12FIN2O/c1-9-3-2-6-17-13(9)8-18-14(19)11-5-4-10(15)7-12(11)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLEGQQWPSCROLBR-UHFFFAOYSA-N
MW370.17 g/mol
LogP3.06
Rot. Bonds3

About 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide

4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide (PubChem CID 113232081) has the molecular formula C14H12FIN2O and a molecular weight of 370.17 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
PubChem CID113232081
Molecular FormulaC14H12FIN2O
Molecular Weight370.17 g/mol
Exact Mass370.00
IUPAC Name4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide
SMILESCc1cccnc1CNC(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H12FIN2O/c1-9-3-2-6-17-13(9)8-18-14(19)11-5-4-10(15)7-12(11)16/h2-7H,8H2,1H3,(H,18,19)
InChIKeyLEGQQWPSCROLBR-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 53.06
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

4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
4-bromo-N-[(3-methyl-2-pyridinyl)methyl]-2-sulfanylbenzamide
CID 107029696
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
4-fluoro-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 55205389
4-amino-3,5-difluoro-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309173
3-fluoro-2-hydrazinyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309300
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]-5-sulfanylbenzamide
CID 107029690
4-fluoro-2-iodo-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713400
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
2-bromo-N-[(3-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 106853950

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide (CID 113232081) is 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide is Cc1cccnc1CNC(=O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
The InChIKey is LEGQQWPSCROLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FIN2O/c1-9-3-2-6-17-13(9)8-18-14(19)11-5-4-10(15)7-12(11)16/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide?
4-fluoro-2-iodo-N-[(3-methyl-2-pyridinyl)methyl]benzamide has a molecular weight of 370.17 g/mol, XLogP of 3.06, 3 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-[(3-methyl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 113232081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).