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

C19H21FN4O3 — CID 133417299

IUPACN-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O3/c1-14-12-15(24(26)27)6-7-18(14)23-10-8-22(9-11-23)13-19(25)21-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyWMAYCUYOVKVVAF-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.80
Rot. Bonds5

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

N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide (PubChem CID 133417299) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
PubChem CID133417299
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC NameN-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide
SMILESCc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H21FN4O3/c1-14-12-15(24(26)27)6-7-18(14)23-10-8-22(9-11-23)13-19(25)21-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKeyWMAYCUYOVKVVAF-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 8726259
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide
CID 8582945
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 8726302
N-(2-fluorophenyl)-5-nitro-2-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 2943753
N-(2,4-difluorophenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
CID 4818651
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87020776
(2-fluorophenyl)-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]methanone
CID 2964854
N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
CID 2943819
2-[4-(2-methyl-4-nitrophenyl)-1,4-diazepan-1-yl]acetic acid
CID 62824502
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]acetamide
CID 133417268
2-(1,4-diazepan-1-yl)-N-(2-fluoro-4-nitrophenyl)acetamide
CID 62833639
N-(2-chloro-4-nitrophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide
CID 27207371

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide (CID 133417299) is N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide is Cc1cc([N+](=O)[O-])ccc1N1CCN(CC(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide?
The InChIKey is WMAYCUYOVKVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-14-12-15(24(26)27)6-7-18(14)23-10-8-22(9-11-23)13-19(25)21-17-5-3-2-4-16(17)20/h2-7,12H,8-11,13H2,1H3,(H,21,25).
What are the key properties of N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(2-methyl-4-nitrophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133417299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).