N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide

C20H21FN4O4 — CID 2943753

IUPACN-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESO=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O4/c21-16-6-2-3-7-18(16)23-20(27)15-12-14(25(28)29)8-9-17(15)22-19(26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,26)(H,23,27)
InChIKeyOXLTWOJACBYUII-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.41
Rot. Bonds6

About N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide

N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide (PubChem CID 2943753) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
PubChem CID2943753
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC NameN-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
SMILESO=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F
InChIInChI=1S/C20H21FN4O4/c21-16-6-2-3-7-18(16)23-20(27)15-12-14(25(28)29)8-9-17(15)22-19(26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,26)(H,23,27)
InChIKeyOXLTWOJACBYUII-UHFFFAOYSA-N
XLogP3.41
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.41
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)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]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-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
CID 2943819
N-(2-bromo-4-nitrophenyl)-2-piperidin-1-ylacetamide
CID 2946043
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417299
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
2-(1,4-diazepan-1-yl)-N-(2-fluoro-5-nitrophenyl)acetamide
CID 62839860
N-(3-nitrophenyl)-2-piperidin-1-ylacetamide
CID 687323
N-[(2-fluorophenyl)carbamoyl]-2-piperidin-1-ylacetamide
CID 8894654
2-(azocan-1-yl)-N-(4-nitrophenyl)acetamide
CID 8583783
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
CID 53352634
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-(2,4-dimethoxyphenyl)-5-nitrobenzamide
CID 2944672
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020776
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide?
The IUPAC name of N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide (CID 2943753) is N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide is O=C(CN1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide?
The InChIKey is OXLTWOJACBYUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c21-16-6-2-3-7-18(16)23-20(27)15-12-14(25(28)29)8-9-17(15)22-19(26)13-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,26)(H,23,27).
What are the key properties of N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide?
N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide has a molecular weight of 400.41 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide is sourced from PubChem (CID 2943753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).