N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide

C26H25FN4O4 — CID 46037850

IUPACN-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H25FN4O4/c27-23-7-3-1-5-19(23)17-28-26(33)22-6-2-4-8-24(22)30-15-13-20(14-16-30)29-25(32)18-9-11-21(12-10-18)31(34)35/h1-12,20H,13-17H2,(H,28,33)(H,29,32)
InChIKeyIGTUPSAFTKJOQU-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.06
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide

N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide (PubChem CID 46037850) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide
PubChem CID46037850
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide
SMILESO=C(NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C26H25FN4O4/c27-23-7-3-1-5-19(23)17-28-26(33)22-6-2-4-8-24(22)30-15-13-20(14-16-30)29-25(32)18-9-11-21(12-10-18)31(34)35/h1-12,20H,13-17H2,(H,28,33)(H,29,32)
InChIKeyIGTUPSAFTKJOQU-UHFFFAOYSA-N
XLogP4.06
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.06
H-Bond Donors ≤ 52
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 N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-nitrobenzamide
CID 55753843
N-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-2-methylbenzamide
CID 47053983
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[(2-fluorophenyl)methyl]-2-nitrobenzamide
CID 7924688
2-chloro-N-[(2-fluorophenyl)methyl]-5-nitrobenzamide
CID 4794287
2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719002
2-chloro-N-[(2-fluorophenyl)methyl]-4-nitrobenzamide
CID 4827643
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzamide
CID 16825826

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide (CID 46037850) is N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide is O=C(NC1CCN(c2ccccc2C(=O)NCc2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide?
The InChIKey is IGTUPSAFTKJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c27-23-7-3-1-5-19(23)17-28-26(33)22-6-2-4-8-24(22)30-15-13-20(14-16-30)29-25(32)18-9-11-21(12-10-18)31(34)35/h1-12,20H,13-17H2,(H,28,33)(H,29,32).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide?
N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide has a molecular weight of 476.51 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[4-[(4-nitrobenzoyl)amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 46037850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).