CID 88975999

C26H24BFN4O3 — CID 88975999

IUPAC—
SMILES[B]c1ccc(F)cc1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C26H24BFN4O3/c27-23-11-8-19(28)16-22(23)26(35)32-14-12-31(13-15-32)24(33)17-29-25(34)18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-11,16,30H,12-15,17H2,(H,29,34)
InChIKeyOATWGKBGHYOQDN-UHFFFAOYSA-N
MW470.31 g/mol
LogP2.08
Rot. Bonds6

About CID 88975999

CID 88975999 (PubChem CID 88975999) has the molecular formula C26H24BFN4O3 and a molecular weight of 470.31 g/mol.

Molecular Properties

Compound NameCID 88975999
PubChem CID88975999
Molecular FormulaC26H24BFN4O3
Molecular Weight470.31 g/mol
Exact Mass470.19
IUPAC Name—
SMILES[B]c1ccc(F)cc1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C26H24BFN4O3/c27-23-11-8-19(28)16-22(23)26(35)32-14-12-31(13-15-32)24(33)17-29-25(34)18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-11,16,30H,12-15,17H2,(H,29,34)
InChIKeyOATWGKBGHYOQDN-UHFFFAOYSA-N
XLogP2.08
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
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N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
4-(2,5-difluorophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25166706
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
4-fluoro-N-[2-oxo-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 46413222
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 26590726
4-fluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9081763
N-[2-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108545003
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-4-fluorobenzamide
CID 112991677
N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 59559610

Frequently Asked Questions

What is the IUPAC name of CID 88975999?
The IUPAC name of CID 88975999 (CID 88975999) is not available.
What is the SMILES notation for CID 88975999?
The canonical SMILES for CID 88975999 is [B]c1ccc(F)cc1C(=O)N1CCN(C(=O)CNC(=O)c2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of CID 88975999?
The InChIKey is OATWGKBGHYOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BFN4O3/c27-23-11-8-19(28)16-22(23)26(35)32-14-12-31(13-15-32)24(33)17-29-25(34)18-6-9-21(10-7-18)30-20-4-2-1-3-5-20/h1-11,16,30H,12-15,17H2,(H,29,34).
What are the key properties of CID 88975999?
CID 88975999 has a molecular weight of 470.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88975999 is sourced from PubChem (CID 88975999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).