CID 89010523

C15H15BFN3O4 — CID 89010523

IUPAC—
SMILES[B]c1ccc(Nc2c(C(=O)NOCCO)ccc(=O)n2C)c(F)c1
InChIInChI=1S/C15H15BFN3O4/c1-20-13(22)5-3-10(15(23)19-24-7-6-21)14(20)18-12-4-2-9(16)8-11(12)17/h2-5,8,18,21H,6-7H2,1H3,(H,19,23)
InChIKeyIASSTKOCXZCBNR-UHFFFAOYSA-N
MW331.11 g/mol
LogP-0.28
Rot. Bonds6

About CID 89010523

CID 89010523 (PubChem CID 89010523) has the molecular formula C15H15BFN3O4 and a molecular weight of 331.11 g/mol.

Molecular Properties

Compound NameCID 89010523
PubChem CID89010523
Molecular FormulaC15H15BFN3O4
Molecular Weight331.11 g/mol
Exact Mass331.11
IUPAC Name—
SMILES[B]c1ccc(Nc2c(C(=O)NOCCO)ccc(=O)n2C)c(F)c1
InChIInChI=1S/C15H15BFN3O4/c1-20-13(22)5-3-10(15(23)19-24-7-6-21)14(20)18-12-4-2-9(16)8-11(12)17/h2-5,8,18,21H,6-7H2,1H3,(H,19,23)
InChIKeyIASSTKOCXZCBNR-UHFFFAOYSA-N
XLogP-0.28
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.11
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(2-fluoro-4-methylanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 143438987
5-acetyl-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methylpyrrole-3-carboxamide
CID 24784164
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 11213014
4-[2-fluoro-4-(hydroxymethyl)anilino]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 89335310
CID 88870300
CID 88870300
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 58368273
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
3,4-difluoro-2-[2-fluoro-4-(3-methoxypropyl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 10216123
4,5-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10114957
3,4-difluoro-2-(2-fluoro-4-propylanilino)-N-(2-hydroxyethoxy)benzamide
CID 10126260
3,4-difluoro-2-[2-fluoro-4-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504099
3,4-difluoro-2-[2-fluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)anilino]-N-(2-hydroxyethoxy)benzamide
CID 23504106

Frequently Asked Questions

What is the IUPAC name of CID 89010523?
The IUPAC name of CID 89010523 (CID 89010523) is not available.
What is the SMILES notation for CID 89010523?
The canonical SMILES for CID 89010523 is [B]c1ccc(Nc2c(C(=O)NOCCO)ccc(=O)n2C)c(F)c1.
What is the InChIKey of CID 89010523?
The InChIKey is IASSTKOCXZCBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BFN3O4/c1-20-13(22)5-3-10(15(23)19-24-7-6-21)14(20)18-12-4-2-9(16)8-11(12)17/h2-5,8,18,21H,6-7H2,1H3,(H,19,23).
What are the key properties of CID 89010523?
CID 89010523 has a molecular weight of 331.11 g/mol, XLogP of -0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89010523 is sourced from PubChem (CID 89010523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).