N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide

C29H25F2N3O — CID 19606070

IUPACN-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C29H25F2N3O/c1-19(35)34(2)18-22-7-8-24-23-5-3-4-6-25(23)29(26(24)13-22,16-20-9-11-32-27(30)14-20)17-21-10-12-33-28(31)15-21/h3-15H,16-18H2,1-2H3
InChIKeyWATCAMZEYAAGOM-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.49
Rot. Bonds6

About N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide

N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide (PubChem CID 19606070) has the molecular formula C29H25F2N3O and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide
PubChem CID19606070
Molecular FormulaC29H25F2N3O
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C29H25F2N3O/c1-19(35)34(2)18-22-7-8-24-23-5-3-4-6-25(23)29(26(24)13-22,16-20-9-11-32-27(30)14-20)17-21-10-12-33-28(31)15-21/h3-15H,16-18H2,1-2H3
InChIKeyWATCAMZEYAAGOM-UHFFFAOYSA-N
XLogP5.49
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide (CID 19606070) is N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide?
The InChIKey is WATCAMZEYAAGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O/c1-19(35)34(2)18-22-7-8-24-23-5-3-4-6-25(23)29(26(24)13-22,16-20-9-11-32-27(30)14-20)17-21-10-12-33-28(31)15-21/h3-15H,16-18H2,1-2H3.
What are the key properties of N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide?
N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide has a molecular weight of 469.54 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 19606070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).