N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide

C20H21FN4O4 — CID 9020291

IUPACN-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21FN4O4/c1-14-5-6-15(11-18(14)25(28)29)20(27)24-9-7-23(8-10-24)13-19(26)22-17-4-2-3-16(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)
InChIKeyCWWSRWRKQQNTRM-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.44
Rot. Bonds5

About N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide (PubChem CID 9020291) has the molecular formula C20H21FN4O4 and a molecular weight of 400.41 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
PubChem CID9020291
Molecular FormulaC20H21FN4O4
Molecular Weight400.41 g/mol
Exact Mass400.15
IUPAC NameN-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-]
InChIInChI=1S/C20H21FN4O4/c1-14-5-6-15(11-18(14)25(28)29)20(27)24-9-7-23(8-10-24)13-19(26)22-17-4-2-3-16(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)
InChIKeyCWWSRWRKQQNTRM-UHFFFAOYSA-N
XLogP2.44
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.44
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

N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
2-[4-(3-fluoro-4-methyl-5-nitrobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 46490130
N-(3-fluorophenyl)-2-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]acetamide
CID 9020337
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 60503003
ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
2-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27859814
N-(3-fluorophenyl)-2-[4-[(E)-3-(2-nitrophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 9020153
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-methyl-3-nitrophenyl)acetamide
CID 29164014
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
2-[4-(3-acetamidobenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9021927
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide (CID 9020291) is N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is CWWSRWRKQQNTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4/c1-14-5-6-15(11-18(14)25(28)29)20(27)24-9-7-23(8-10-24)13-19(26)22-17-4-2-3-16(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,26).
What are the key properties of N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 400.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 9020291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).