2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide

C24H22FN3O2 — CID 4309952

IUPAC2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23(29)26-22-13-7-5-11-20(22)24(30)28-16-14-27(15-17-28)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29)
InChIKeyNHBXFKUNOLRBLL-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.04
Rot. Bonds4

About 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide

2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 4309952) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID4309952
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F
InChIInChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23(29)26-22-13-7-5-11-20(22)24(30)28-16-14-27(15-17-28)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29)
InChIKeyNHBXFKUNOLRBLL-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17273892
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide (CID 4309952) is 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide is O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is NHBXFKUNOLRBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-21-12-6-4-10-19(21)23(29)26-22-13-7-5-11-20(22)24(30)28-16-14-27(15-17-28)18-8-2-1-3-9-18/h1-13H,14-17H2,(H,26,29).
What are the key properties of 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide?
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 4309952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).