5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide

C17H12ClFIN3O — CID 112823648

IUPAC5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2I)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFIN3O/c1-10-8-16(23(22-10)13-5-3-12(19)4-6-13)21-17(24)14-9-11(18)2-7-15(14)20/h2-9H,1H3,(H,21,24)
InChIKeyBPRASNBGZIPSHM-UHFFFAOYSA-N
MW455.66 g/mol
LogP4.83
Rot. Bonds3

About 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide

5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide (PubChem CID 112823648) has the molecular formula C17H12ClFIN3O and a molecular weight of 455.66 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
PubChem CID112823648
Molecular FormulaC17H12ClFIN3O
Molecular Weight455.66 g/mol
Exact Mass454.97
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2I)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H12ClFIN3O/c1-10-8-16(23(22-10)13-5-3-12(19)4-6-13)21-17(24)14-9-11(18)2-7-15(14)20/h2-9H,1H3,(H,21,24)
InChIKeyBPRASNBGZIPSHM-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.66
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-fluorobenzamide
CID 78835917
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 112810243
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-(2-benzyl-5-methylpyrazol-3-yl)-5-chloro-2-iodobenzamide
CID 60553051
N-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-4-cyano-2,6-difluorobenzamide
CID 139012815
2-chloro-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-4-fluorobenzamide
CID 55377398
2-ethoxy-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 35534339
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 112805726
4-chloro-N-[4-[[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]amino]-4-oxobutyl]benzamide
CID 112805744
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-methylbutanamide
CID 45153613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide (CID 112823648) is 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2I)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide?
The InChIKey is BPRASNBGZIPSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFIN3O/c1-10-8-16(23(22-10)13-5-3-12(19)4-6-13)21-17(24)14-9-11(18)2-7-15(14)20/h2-9H,1H3,(H,21,24).
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide?
5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide has a molecular weight of 455.66 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-iodobenzamide is sourced from PubChem (CID 112823648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).