CID 89134455

C19H14BF3N2O2 — CID 89134455

IUPAC—
SMILES[B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2cc(N)ccc2F)c1=O
InChIInChI=1S/C19H14BF3N2O2/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22/h2-8H,9,24H2,1H3
InChIKeyOXTCTNMLAYFXAJ-UHFFFAOYSA-N
MW370.14 g/mol
LogP2.52
Rot. Bonds4

About CID 89134455

CID 89134455 (PubChem CID 89134455) has the molecular formula C19H14BF3N2O2 and a molecular weight of 370.14 g/mol.

Molecular Properties

Compound NameCID 89134455
PubChem CID89134455
Molecular FormulaC19H14BF3N2O2
Molecular Weight370.14 g/mol
Exact Mass370.11
IUPAC Name—
SMILES[B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2cc(N)ccc2F)c1=O
InChIInChI=1S/C19H14BF3N2O2/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22/h2-8H,9,24H2,1H3
InChIKeyOXTCTNMLAYFXAJ-UHFFFAOYSA-N
XLogP2.52
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-fluorophenyl)-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one;hydrochloride
CID 22050202
CID 89134151
CID 89134151
3-(5-amino-2-fluorophenyl)-5-bromo-6-[(2,4-difluorophenyl)methoxy]-2-methylpyrimidin-4-one;hydrochloride
CID 21089222
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-(2-methylphenyl)pyridin-2-one
CID 141203440
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluoro-N-methylbenzamide
CID 22050313
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-phenylpyridin-2-one
CID 141203443
3-bromo-1-(2-chlorophenyl)-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 141203432
N-[[3-[3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-fluorophenyl]methyl]-2-methoxyacetamide
CID 22050076
1-[(3-aminophenyl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 22050290
2-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoic acid
CID 142776167
CID 163740484
CID 163740484
3-bromo-4-[(2,4-difluorophenyl)methoxy]-1-(2-methoxy-6-methylphenyl)-6-methylpyridin-2-one
CID 10238447

Frequently Asked Questions

What is the IUPAC name of CID 89134455?
The IUPAC name of CID 89134455 (CID 89134455) is not available.
What is the SMILES notation for CID 89134455?
The canonical SMILES for CID 89134455 is [B]c1c(OCc2ccc(F)cc2F)cc(C)n(-c2cc(N)ccc2F)c1=O.
What is the InChIKey of CID 89134455?
The InChIKey is OXTCTNMLAYFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BF3N2O2/c1-10-6-17(27-9-11-2-3-12(21)7-15(11)23)18(20)19(26)25(10)16-8-13(24)4-5-14(16)22/h2-8H,9,24H2,1H3.
What are the key properties of CID 89134455?
CID 89134455 has a molecular weight of 370.14 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89134455 is sourced from PubChem (CID 89134455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).