2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide

C16H10F2IN3O — CID 66770779

IUPAC2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccc(I)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H10F2IN3O/c17-11-2-1-3-12(18)14(11)16(23)21-13-8-20-22-15(13)9-4-6-10(19)7-5-9/h1-8H,(H,20,22)(H,21,23)
InChIKeyZYNOJKZMWJTNPF-UHFFFAOYSA-N
MW425.18 g/mol
LogP4.21
Rot. Bonds3

About 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide

2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide (PubChem CID 66770779) has the molecular formula C16H10F2IN3O and a molecular weight of 425.18 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
PubChem CID66770779
Molecular FormulaC16H10F2IN3O
Molecular Weight425.18 g/mol
Exact Mass424.98
IUPAC Name2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide
SMILESO=C(Nc1cn[nH]c1-c1ccc(I)cc1)c1c(F)cccc1F
InChIInChI=1S/C16H10F2IN3O/c17-11-2-1-3-12(18)14(11)16(23)21-13-8-20-22-15(13)9-4-6-10(19)7-5-9/h1-8H,(H,20,22)(H,21,23)
InChIKeyZYNOJKZMWJTNPF-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.18
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-difluorobenzoyl)amino]-N-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 24864079
2-fluoro-N-(5-formyl-1H-pyrazol-4-yl)-6-hydroxybenzamide
CID 142995031
4-[(2,6-difluorobenzoyl)amino]-N-(piperidin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 59733368
ethyl 4-[(2,6-difluorobenzoyl)amino]-1H-pyrazole-5-carboxylate
CID 59733474
4-[(2,6-difluorobenzoyl)amino]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 59733435
4-[(2,6-difluorobenzoyl)amino]-N-(2-propylpentyl)-1H-pyrazole-5-carboxamide
CID 70304735
2,6-difluoro-N-[5-[5-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 163612659
4-[(2,6-difluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 59733429
4-[(2,6-difluorobenzoyl)amino]-N-[4-(dimethylamino)cyclohexyl]-1H-pyrazole-5-carboxamide
CID 58696395
2,6-difluoro-N-(5-formyl-1H-pyrazol-4-yl)benzamide;2-methylbutane;N-methylmethanamine;propan-1-amine
CID 143263503
ethane;N-[5-[5-[(2E,4E,6Z)-5-ethylocta-2,4,6-trien-2-yl]-1H-imidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide
CID 142984019
2,6-difluoro-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]benzamide
CID 44540134

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide (CID 66770779) is 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide is O=C(Nc1cn[nH]c1-c1ccc(I)cc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide?
The InChIKey is ZYNOJKZMWJTNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2IN3O/c17-11-2-1-3-12(18)14(11)16(23)21-13-8-20-22-15(13)9-4-6-10(19)7-5-9/h1-8H,(H,20,22)(H,21,23).
What are the key properties of 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide?
2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide has a molecular weight of 425.18 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-(4-iodophenyl)-1H-pyrazol-4-yl]benzamide is sourced from PubChem (CID 66770779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).