CID 87932328

C27H20AsF2N2O4 — CID 87932328

IUPAC—
SMILESO=C([As]Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1)c1cc(F)ccc1O
InChIInChI=1S/C27H20AsF2N2O4/c29-19-7-10-21(11-8-19)36-27-22(2-1-13-31-27)26(35)32-16-18-5-3-17(4-6-18)15-28-25(34)23-14-20(30)9-12-24(23)33/h1-14,33H,15-16H2,(H,32,35)
InChIKeyAZTAZIVXEGQESY-UHFFFAOYSA-N
MW549.39 g/mol
LogP4.83
Rot. Bonds9

About CID 87932328

CID 87932328 (PubChem CID 87932328) has the molecular formula C27H20AsF2N2O4 and a molecular weight of 549.39 g/mol.

Molecular Properties

Compound NameCID 87932328
PubChem CID87932328
Molecular FormulaC27H20AsF2N2O4
Molecular Weight549.39 g/mol
Exact Mass549.06
IUPAC Name—
SMILESO=C([As]Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1)c1cc(F)ccc1O
InChIInChI=1S/C27H20AsF2N2O4/c29-19-7-10-21(11-8-19)36-27-22(2-1-13-31-27)26(35)32-16-18-5-3-17(4-6-18)15-28-25(34)23-14-20(30)9-12-24(23)33/h1-14,33H,15-16H2,(H,32,35)
InChIKeyAZTAZIVXEGQESY-UHFFFAOYSA-N
XLogP4.83
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
[4-[[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]methylazanium chloride
CID 159167467
N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 141060333
2-(3-fluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612370
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-(2,4-difluorophenoxy)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]pyridine-3-carboxamide
CID 22612119
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
2-(2-bromo-4-fluorophenoxy)-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 55789405

Frequently Asked Questions

What is the IUPAC name of CID 87932328?
The IUPAC name of CID 87932328 (CID 87932328) is not available.
What is the SMILES notation for CID 87932328?
The canonical SMILES for CID 87932328 is O=C([As]Cc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1)c1cc(F)ccc1O.
What is the InChIKey of CID 87932328?
The InChIKey is AZTAZIVXEGQESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20AsF2N2O4/c29-19-7-10-21(11-8-19)36-27-22(2-1-13-31-27)26(35)32-16-18-5-3-17(4-6-18)15-28-25(34)23-14-20(30)9-12-24(23)33/h1-14,33H,15-16H2,(H,32,35).
What are the key properties of CID 87932328?
CID 87932328 has a molecular weight of 549.39 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87932328 is sourced from PubChem (CID 87932328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).