N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide

C26H26FN3O2 — CID 17050565

IUPACN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H26FN3O2/c1-2-19-3-5-21(6-4-19)26(32)30-17-15-29(16-18-30)24-13-11-23(12-14-24)28-25(31)20-7-9-22(27)10-8-20/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyWXYZDXREKOQQAU-UHFFFAOYSA-N
MW431.51 g/mol
LogP4.60
Rot. Bonds5

About N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide

N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide (PubChem CID 17050565) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
PubChem CID17050565
Molecular FormulaC26H26FN3O2
Molecular Weight431.51 g/mol
Exact Mass431.20
IUPAC NameN-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide
SMILESCCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)cc1
InChIInChI=1S/C26H26FN3O2/c1-2-19-3-5-21(6-4-19)26(32)30-17-15-29(16-18-30)24-13-11-23(12-14-24)28-25(31)20-7-9-22(27)10-8-20/h3-14H,2,15-18H2,1H3,(H,28,31)
InChIKeyWXYZDXREKOQQAU-UHFFFAOYSA-N
XLogP4.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17358334
3-chloro-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 17050618
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 17358556
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-2-iodobenzamide
CID 17358702
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]urea
CID 46697484
4-ethyl-N-[4-(4-hexanoylpiperazin-1-yl)phenyl]benzamide
CID 4038929
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42850972
5-(4-bromophenyl)-N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17050290
1-(4-ethylphenyl)-3-[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]phenyl]urea
CID 1056891

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide (CID 17050565) is N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide is CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(F)cc4)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide?
The InChIKey is WXYZDXREKOQQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c1-2-19-3-5-21(6-4-19)26(32)30-17-15-29(16-18-30)24-13-11-23(12-14-24)28-25(31)20-7-9-22(27)10-8-20/h3-14H,2,15-18H2,1H3,(H,28,31).
What are the key properties of N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide?
N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide has a molecular weight of 431.51 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 17050565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).