4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide

C16H10FIN2O — CID 103747532

IUPAC4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2ccncc12)c1ccc(F)cc1I
InChIInChI=1S/C16H10FIN2O/c17-11-4-5-12(14(18)8-11)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21)
InChIKeyKREKPKPOFYDNBP-UHFFFAOYSA-N
MW392.17 g/mol
LogP4.23
Rot. Bonds2

About 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide

4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide (PubChem CID 103747532) has the molecular formula C16H10FIN2O and a molecular weight of 392.17 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
PubChem CID103747532
Molecular FormulaC16H10FIN2O
Molecular Weight392.17 g/mol
Exact Mass391.98
IUPAC Name4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
SMILESO=C(Nc1cccc2ccncc12)c1ccc(F)cc1I
InChIInChI=1S/C16H10FIN2O/c17-11-4-5-12(14(18)8-11)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21)
InChIKeyKREKPKPOFYDNBP-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.17
LogP ≤ 54.23
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

2,4-difluoro-N-naphthalen-1-ylbenzamide
CID 2981920
2-bromo-5-chloro-N-isoquinolin-8-ylbenzamide
CID 103747527
isoquinolin-8-ylurea
CID 67363282
N-isoquinolin-8-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 167745801
2-chloro-4-fluoro-N-naphthalen-1-ylbenzamide
CID 26087324
3-hydroxy-N-naphthalen-1-ylpyridine-4-carboxamide
CID 81443161
N-(2,3-dimethylphenyl)isoquinoline-8-carboxamide
CID 110857655
3-(isoquinolin-8-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369823
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
CID 103747528
2-[3-[(4-fluoro-2-iodobenzoyl)amino]phenyl]acetic acid
CID 103803781
N-(3-fluoro-4-pyridinyl)-1-hydroxynaphthalene-2-carboxamide
CID 103874401

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide?
The IUPAC name of 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide (CID 103747532) is 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide is O=C(Nc1cccc2ccncc12)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide?
The InChIKey is KREKPKPOFYDNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FIN2O/c17-11-4-5-12(14(18)8-11)16(21)20-15-3-1-2-10-6-7-19-9-13(10)15/h1-9H,(H,20,21).
What are the key properties of 4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide?
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide has a molecular weight of 392.17 g/mol, XLogP of 4.23, 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-isoquinolin-8-ylbenzamide is sourced from PubChem (CID 103747532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).