4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C26H26F2N4O3 — CID 68751047

IUPAC4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(-c2ccc(F)c(CN(CCN3CCCC3)C(=O)c3ccc(F)cc3)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C26H26F2N4O3/c1-18-14-24(29-16-25(18)32(34)35)20-6-9-23(28)21(15-20)17-31(13-12-30-10-2-3-11-30)26(33)19-4-7-22(27)8-5-19/h4-9,14-16H,2-3,10-13,17H2,1H3
InChIKeyQGBSWNZMHGXJEN-UHFFFAOYSA-N
MW480.52 g/mol
LogP4.98
Rot. Bonds8

About 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 68751047) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID68751047
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cc(-c2ccc(F)c(CN(CCN3CCCC3)C(=O)c3ccc(F)cc3)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C26H26F2N4O3/c1-18-14-24(29-16-25(18)32(34)35)20-6-9-23(28)21(15-20)17-31(13-12-30-10-2-3-11-30)26(33)19-4-7-22(27)8-5-19/h4-9,14-16H,2-3,10-13,17H2,1H3
InChIKeyQGBSWNZMHGXJEN-UHFFFAOYSA-N
XLogP4.98
TPSA79.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide 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 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 68751047) is 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cc(-c2ccc(F)c(CN(CCN3CCCC3)C(=O)c3ccc(F)cc3)c2)ncc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is QGBSWNZMHGXJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-18-14-24(29-16-25(18)32(34)35)20-6-9-23(28)21(15-20)17-31(13-12-30-10-2-3-11-30)26(33)19-4-7-22(27)8-5-19/h4-9,14-16H,2-3,10-13,17H2,1H3.
What are the key properties of 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 480.52 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[2-fluoro-5-(4-methyl-5-nitro-2-pyridinyl)phenyl]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 68751047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).