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

C26H28FN5O2 — CID 39052757

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H28FN5O2/c27-21-8-12-24(13-9-21)32-18-16-31(17-19-32)15-14-28-25(33)20-6-10-23(11-7-20)30-26(34)29-22-4-2-1-3-5-22/h1-13H,14-19H2,(H,28,33)(H2,29,30,34)
InChIKeyZUKFDYWHSKVWLR-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.02
Rot. Bonds7

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 39052757) has the molecular formula C26H28FN5O2 and a molecular weight of 461.54 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID39052757
Molecular FormulaC26H28FN5O2
Molecular Weight461.54 g/mol
Exact Mass461.22
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H28FN5O2/c27-21-8-12-24(13-9-21)32-18-16-31(17-19-32)15-14-28-25(33)20-6-10-23(11-7-20)30-26(34)29-22-4-2-1-3-5-22/h1-13H,14-19H2,(H,28,33)(H2,29,30,34)
InChIKeyZUKFDYWHSKVWLR-UHFFFAOYSA-N
XLogP4.02
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N'-(4-fluorophenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 42268330
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
1-(2-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]urea
CID 38272106
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
4-chloro-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266927
N'-benzyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268601
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55721620
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(4-phenylphenyl)acetamide
CID 42266624

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide (CID 39052757) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is ZUKFDYWHSKVWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O2/c27-21-8-12-24(13-9-21)32-18-16-31(17-19-32)15-14-28-25(33)20-6-10-23(11-7-20)30-26(34)29-22-4-2-1-3-5-22/h1-13H,14-19H2,(H,28,33)(H2,29,30,34).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 461.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 39052757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).