4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

C17H13FIN3O2 — CID 56552510

IUPAC4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(F)cc2I)n[nH]1
InChIInChI=1S/C17H13FIN3O2/c1-24-15-5-3-2-4-12(15)14-9-16(22-21-14)20-17(23)11-7-6-10(18)8-13(11)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyINBUPJDGXPXJAK-UHFFFAOYSA-N
MW437.21 g/mol
LogP4.08
Rot. Bonds4

About 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide

4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (PubChem CID 56552510) has the molecular formula C17H13FIN3O2 and a molecular weight of 437.21 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
PubChem CID56552510
Molecular FormulaC17H13FIN3O2
Molecular Weight437.21 g/mol
Exact Mass437.00
IUPAC Name4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(F)cc2I)n[nH]1
InChIInChI=1S/C17H13FIN3O2/c1-24-15-5-3-2-4-12(15)14-9-16(22-21-14)20-17(23)11-7-6-10(18)8-13(11)19/h2-9H,1H3,(H2,20,21,22,23)
InChIKeyINBUPJDGXPXJAK-UHFFFAOYSA-N
XLogP4.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.21
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56552544
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56552513
3,4,5-trimethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-nitrobenzamide
CID 56552794
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 56552567
N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-3-methylfuran-2-carboxamide
CID 51099249
4-bromo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56566131
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 51099258
methyl N-[(2R)-1-[[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 97211863
N-(3-chloro-4-methoxyphenyl)-4-fluoro-2-iodobenzamide
CID 39709925
2-(4-cyanophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]acetamide
CID 51098942

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The IUPAC name of 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide (CID 56552510) is 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is COc1ccccc1-c1cc(NC(=O)c2ccc(F)cc2I)n[nH]1.
What is the InChIKey of 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
The InChIKey is INBUPJDGXPXJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FIN3O2/c1-24-15-5-3-2-4-12(15)14-9-16(22-21-14)20-17(23)11-7-6-10(18)8-13(11)19/h2-9H,1H3,(H2,20,21,22,23).
What are the key properties of 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide?
4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide has a molecular weight of 437.21 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 56552510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).