2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide

C24H21F2N3O2 — CID 17273892

IUPAC2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1ccccc1F
InChIInChI=1S/C24H21F2N3O2/c25-21-7-3-1-5-19(21)23(30)27-17-9-11-18(12-10-17)28-13-15-29(16-14-28)24(31)20-6-2-4-8-22(20)26/h1-12H,13-16H2,(H,27,30)
InChIKeyBXUNFCDFHQQIPJ-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.18
Rot. Bonds4

About 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide

2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide (PubChem CID 17273892) has the molecular formula C24H21F2N3O2 and a molecular weight of 421.45 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
PubChem CID17273892
Molecular FormulaC24H21F2N3O2
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1ccccc1F
InChIInChI=1S/C24H21F2N3O2/c25-21-7-3-1-5-19(21)23(30)27-17-9-11-18(12-10-17)28-13-15-29(16-14-28)24(31)20-6-2-4-8-22(20)26/h1-12H,13-16H2,(H,27,30)
InChIKeyBXUNFCDFHQQIPJ-UHFFFAOYSA-N
XLogP4.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.18
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

2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-1-benzothiophene-2-carboxamide
CID 17273895
5-bromo-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
CID 2985259
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
2,4-dichloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43913835
5-bromo-2-chloro-N-[[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43913788
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 3670644
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide (CID 17273892) is 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide is O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide?
The InChIKey is BXUNFCDFHQQIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N3O2/c25-21-7-3-1-5-19(21)23(30)27-17-9-11-18(12-10-17)28-13-15-29(16-14-28)24(31)20-6-2-4-8-22(20)26/h1-12H,13-16H2,(H,27,30).
What are the key properties of 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide?
2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide has a molecular weight of 421.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide is sourced from PubChem (CID 17273892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).