2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide

C19H23FN4O — CID 119947503

IUPAC2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-22-19(25)17-3-1-2-4-18(17)21/h1-8H,9-14,21H2,(H,22,25)
InChIKeyJINPRSYYALVPEP-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.96
Rot. Bonds5

About 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide

2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 119947503) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID119947503
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESNc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-22-19(25)17-3-1-2-4-18(17)21/h1-8H,9-14,21H2,(H,22,25)
InChIKeyJINPRSYYALVPEP-UHFFFAOYSA-N
XLogP1.96
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(2-methoxyethoxy)benzamide
CID 55997758
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55678936
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 42266552
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (CID 119947503) is 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is Nc1ccccc1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is JINPRSYYALVPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-22-19(25)17-3-1-2-4-18(17)21/h1-8H,9-14,21H2,(H,22,25).
What are the key properties of 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 342.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 119947503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).