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

C29H25F2N3O2 — CID 19606098

IUPACmethyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C29H25F2N3O2/c1-34(28(35)36-2)18-21-7-8-23-22-5-3-4-6-24(22)29(25(23)13-21,16-19-9-11-32-26(30)14-19)17-20-10-12-33-27(31)15-20/h3-15H,16-18H2,1-2H3
InChIKeyZWGJZPCWICCAAY-UHFFFAOYSA-N
MW485.53 g/mol
LogP5.70
Rot. Bonds6

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

methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate (PubChem CID 19606098) has the molecular formula C29H25F2N3O2 and a molecular weight of 485.53 g/mol. Its IUPAC name is methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate
PubChem CID19606098
Molecular FormulaC29H25F2N3O2
Molecular Weight485.53 g/mol
Exact Mass485.19
IUPAC Namemethyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate
SMILESCOC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C29H25F2N3O2/c1-34(28(35)36-2)18-21-7-8-23-22-5-3-4-6-24(22)29(25(23)13-21,16-19-9-11-32-26(30)14-19)17-20-10-12-33-27(31)15-20/h3-15H,16-18H2,1-2H3
InChIKeyZWGJZPCWICCAAY-UHFFFAOYSA-N
XLogP5.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.53
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate (CID 19606098) is methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate is COC(=O)N(C)Cc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate?
The InChIKey is ZWGJZPCWICCAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O2/c1-34(28(35)36-2)18-21-7-8-23-22-5-3-4-6-24(22)29(25(23)13-21,16-19-9-11-32-26(30)14-19)17-20-10-12-33-27(31)15-20/h3-15H,16-18H2,1-2H3.
What are the key properties of methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate?
methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate has a molecular weight of 485.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[9,9-bis[(2-fluoro-4-pyridinyl)methyl]fluoren-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 19606098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).