CID 88581631

C18H19BFN3O2 — CID 88581631

IUPAC—
SMILES[B]c1cc(F)ccc1C(=O)Nc1cccc(OC2CCN(C)CC2)n1
InChIInChI=1S/C18H19BFN3O2/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19/h2-6,11,13H,7-10H2,1H3,(H,21,22,24)
InChIKeyBBYIWDYNRKAINR-UHFFFAOYSA-N
MW339.18 g/mol
LogP1.74
Rot. Bonds4

About CID 88581631

CID 88581631 (PubChem CID 88581631) has the molecular formula C18H19BFN3O2 and a molecular weight of 339.18 g/mol.

Molecular Properties

Compound NameCID 88581631
PubChem CID88581631
Molecular FormulaC18H19BFN3O2
Molecular Weight339.18 g/mol
Exact Mass339.16
IUPAC Name—
SMILES[B]c1cc(F)ccc1C(=O)Nc1cccc(OC2CCN(C)CC2)n1
InChIInChI=1S/C18H19BFN3O2/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19/h2-6,11,13H,7-10H2,1H3,(H,21,22,24)
InChIKeyBBYIWDYNRKAINR-UHFFFAOYSA-N
XLogP1.74
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
2-chloro-4-fluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydron;chloride
CID 69063392
N-[6-(1-benzylpiperidin-4-yl)oxy-2-pyridinyl]-2-chloro-4-fluorobenzamide
CID 163786051
N-methyl-6-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 45097725
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284
2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
CID 66939247
2-fluoro-N-[2-fluoro-3-(1-methylpiperidin-4-yl)oxyphenyl]-4-methylbenzamide
CID 142957017
2-chloro-4-fluoro-N-[2-fluoro-3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide
CID 58997345
5-(1-methylpyrrolidin-3-yl)oxy-N-pyridin-2-yl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10149937
2-[3-[3-[(6-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-2-hydroxypropoxy]-4-fluoro-N-phenylbenzamide
CID 10299815
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632

Frequently Asked Questions

What is the IUPAC name of CID 88581631?
The IUPAC name of CID 88581631 (CID 88581631) is not available.
What is the SMILES notation for CID 88581631?
The canonical SMILES for CID 88581631 is [B]c1cc(F)ccc1C(=O)Nc1cccc(OC2CCN(C)CC2)n1.
What is the InChIKey of CID 88581631?
The InChIKey is BBYIWDYNRKAINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BFN3O2/c1-23-9-7-13(8-10-23)25-17-4-2-3-16(21-17)22-18(24)14-6-5-12(20)11-15(14)19/h2-6,11,13H,7-10H2,1H3,(H,21,22,24).
What are the key properties of CID 88581631?
CID 88581631 has a molecular weight of 339.18 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88581631 is sourced from PubChem (CID 88581631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).