N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

C22H27FN4O2 — CID 48732998

IUPACN-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1F
InChIInChI=1S/C22H27FN4O2/c1-15(2)26-10-12-27(13-11-26)19-7-4-17(5-8-19)22(29)25-18-6-9-20(23)21(14-18)24-16(3)28/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyZWSUYGZFIZUPGY-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.57
Rot. Bonds5

About N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide

N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (PubChem CID 48732998) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
PubChem CID48732998
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1F
InChIInChI=1S/C22H27FN4O2/c1-15(2)26-10-12-27(13-11-26)19-7-4-17(5-8-19)22(29)25-18-6-9-20(23)21(14-18)24-16(3)28/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyZWSUYGZFIZUPGY-UHFFFAOYSA-N
XLogP3.57
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502704
N-(3-acetamido-4-fluorophenyl)-4-methoxybenzamide
CID 52559110
2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
N-(2-bromophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732588
4-chloro-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]benzamide
CID 1055951
N-(3-acetamido-4-fluorophenyl)-4-ethoxybenzamide
CID 46632768
N-(3-acetamido-4-fluorophenyl)-4-(tert-butylsulfamoyl)benzamide
CID 46603735
N-[4-fluoro-3-(2-morpholin-4-ylpropanoylamino)phenyl]-4-phenylbenzamide
CID 123219708
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
N-[3-fluoro-4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyridin-2-ylbenzamide
CID 71292346

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide (CID 48732998) is N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is CC(=O)Nc1cc(NC(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
The InChIKey is ZWSUYGZFIZUPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15(2)26-10-12-27(13-11-26)19-7-4-17(5-8-19)22(29)25-18-6-9-20(23)21(14-18)24-16(3)28/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide?
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide has a molecular weight of 398.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide is sourced from PubChem (CID 48732998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).