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

C19H22FN3O — CID 42266693

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-21-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyUGSDWHDNCFNQGO-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.38
Rot. Bonds5

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (PubChem CID 42266693) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
PubChem CID42266693
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-21-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24)
InChIKeyUGSDWHDNCFNQGO-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
CID 39052757
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
2-amino-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 119947503
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
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
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide (CID 42266693) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
The InChIKey is UGSDWHDNCFNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-6-8-18(9-7-17)23-14-12-22(13-15-23)11-10-21-19(24)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,21,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide has a molecular weight of 327.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 42266693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).