2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide

C18H19FN4O3 — CID 60579372

IUPAC2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C18H19FN4O3/c19-14-7-4-8-15(17(14)23(25)26)21-9-11-22(12-10-21)16(18(20)24)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H2,20,24)
InChIKeyFIHQRRBLKHHISX-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.08
Rot. Bonds5

About 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide

2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 60579372) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID60579372
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)C(c1ccccc1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1
InChIInChI=1S/C18H19FN4O3/c19-14-7-4-8-15(17(14)23(25)26)21-9-11-22(12-10-21)16(18(20)24)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H2,20,24)
InChIKeyFIHQRRBLKHHISX-UHFFFAOYSA-N
XLogP2.08
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.08
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'}

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Related Compounds

2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]acetamide
CID 47389784
2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 16961675
2-[4-(2-chlorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 17433888
(2R)-N-carbamoyl-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-phenylacetamide
CID 25346781
4-(4-benzhydrylpiperazin-1-yl)-6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidine
CID 23491653
2-[4-(3-fluoro-2-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824669
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
4-(3-fluoro-2-nitrophenyl)-1,4-thiazinane 1-oxide
CID 62689125
1-(3-fluoro-2-nitrophenyl)piperazine
CID 53255788
2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-2-phenylacetamide
CID 47055802
N,N-diethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 58157308
N-ethyl-2-[4-(2-fluoro-4-nitrophenyl)piperazin-1-yl]-2-phenylacetamide
CID 25152076

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide (CID 60579372) is 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide is NC(=O)C(c1ccccc1)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1.
What is the InChIKey of 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is FIHQRRBLKHHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-14-7-4-8-15(17(14)23(25)26)21-9-11-22(12-10-21)16(18(20)24)13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H2,20,24).
What are the key properties of 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide?
2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 358.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 60579372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).