2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

C19H21FN4O3 — CID 51167971

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O3/c1-14(19(25)21-17-4-2-3-5-18(17)24(26)27)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,25)
InChIKeyZVKCFRWNBZADEQ-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.88
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide (PubChem CID 51167971) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
PubChem CID51167971
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H21FN4O3/c1-14(19(25)21-17-4-2-3-5-18(17)24(26)27)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,25)
InChIKeyZVKCFRWNBZADEQ-UHFFFAOYSA-N
XLogP2.88
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
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 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide 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-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 87019587
(2S)-N-(2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 31629845
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368536
N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
CID 55351442
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
N-naphthalen-1-yl-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 4824587
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 46800952
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
(2R)-N-(2,4-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431310
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide (CID 51167971) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide is CC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide?
The InChIKey is ZVKCFRWNBZADEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-14(19(25)21-17-4-2-3-5-18(17)24(26)27)22-10-12-23(13-11-22)16-8-6-15(20)7-9-16/h2-9,14H,10-13H2,1H3,(H,21,25).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide has a molecular weight of 372.40 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide is sourced from PubChem (CID 51167971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).