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

C19H20ClFN4O3 — CID 55351442

IUPACN-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20ClFN4O3/c1-13(19(26)22-16-7-6-14(21)12-15(16)20)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyFENZTNHYVVVNJG-UHFFFAOYSA-N
MW406.85 g/mol
LogP3.54
Rot. Bonds5

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

N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide (PubChem CID 55351442) has the molecular formula C19H20ClFN4O3 and a molecular weight of 406.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
PubChem CID55351442
Molecular FormulaC19H20ClFN4O3
Molecular Weight406.85 g/mol
Exact Mass406.12
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C19H20ClFN4O3/c1-13(19(26)22-16-7-6-14(21)12-15(16)20)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26)
InChIKeyFENZTNHYVVVNJG-UHFFFAOYSA-N
XLogP3.54
TPSA78.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 53.54
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-(2-nitrophenyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 24506735
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444967
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 9444969
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
2-[4-(2-nitrophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 42998927
(2S)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanoic acid
CID 94397062
(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4-nitrophenyl)propanamide
CID 7390087
N-(2,3-dichlorophenyl)-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46801992
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide (CID 55351442) is N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide is CC(C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide?
The InChIKey is FENZTNHYVVVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O3/c1-13(19(26)22-16-7-6-14(21)12-15(16)20)23-8-10-24(11-9-23)17-4-2-3-5-18(17)25(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide?
N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide has a molecular weight of 406.85 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 55351442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).