N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide

C25H23FN4O5 — CID 55780429

IUPACN-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F
InChIInChI=1S/C25H23FN4O5/c26-21-9-2-3-10-22(21)27-24(31)17-35-23-11-4-1-8-20(23)25(32)29-14-12-28(13-15-29)18-6-5-7-19(16-18)30(33)34/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyNTTGYLWICDUZDJ-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.71
Rot. Bonds7

About N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide

N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide (PubChem CID 55780429) has the molecular formula C25H23FN4O5 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide
PubChem CID55780429
Molecular FormulaC25H23FN4O5
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC NameN-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide
SMILESO=C(COc1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F
InChIInChI=1S/C25H23FN4O5/c26-21-9-2-3-10-22(21)27-24(31)17-35-23-11-4-1-8-20(23)25(32)29-14-12-28(13-15-29)18-6-5-7-19(16-18)30(33)34/h1-11,16H,12-15,17H2,(H,27,31)
InChIKeyNTTGYLWICDUZDJ-UHFFFAOYSA-N
XLogP3.71
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 37281510
(2,4-difluorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanone
CID 47041970
N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 38711386
2-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 120816990
N-(2-fluorophenyl)-2-[2-(3-methylpiperazine-1-carbonyl)phenoxy]acetamide;hydrochloride
CID 119579274
2-(4-nitrophenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17256670
2-[2-methoxy-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 55781175
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-piperidin-1-ylphenyl)benzamide
CID 26289744
N-[2-[4-(3-nitrophenyl)piperazin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55742947
N-(2-cyano-4-nitrophenyl)-2-(2-fluorophenoxy)acetamide
CID 7434030
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842444

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide (CID 55780429) is N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide is O=C(COc1ccccc1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide?
The InChIKey is NTTGYLWICDUZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O5/c26-21-9-2-3-10-22(21)27-24(31)17-35-23-11-4-1-8-20(23)25(32)29-14-12-28(13-15-29)18-6-5-7-19(16-18)30(33)34/h1-11,16H,12-15,17H2,(H,27,31).
What are the key properties of N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide?
N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide has a molecular weight of 478.48 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-[4-(3-nitrophenyl)piperazine-1-carbonyl]phenoxy]acetamide is sourced from PubChem (CID 55780429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).