5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

C27H29FN4O2 — CID 60567676

IUPAC5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H29FN4O2/c1-20(33)30-23-11-12-26(28)25(17-23)27(34)29-18-21-7-5-6-8-22(21)19-31-13-15-32(16-14-31)24-9-3-2-4-10-24/h2-12,17H,13-16,18-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyRCFNNSCRQJHROK-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.04
Rot. Bonds7

About 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide

5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 60567676) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID60567676
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC Name5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C27H29FN4O2/c1-20(33)30-23-11-12-26(28)25(17-23)27(34)29-18-21-7-5-6-8-22(21)19-31-13-15-32(16-14-31)24-9-3-2-4-10-24/h2-12,17H,13-16,18-19H2,1H3,(H,29,34)(H,30,33)
InChIKeyRCFNNSCRQJHROK-UHFFFAOYSA-N
XLogP4.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamido-2-fluoro-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 110908798
5-acetamido-N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-hydroxybenzamide
CID 86943591
2-(difluoromethoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 39172415
2-methyl-5-methylsulfonyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 36551850
N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]pyridine-2-carboxamide
CID 39173441
5-chloro-2-fluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 38756062
2,5-dichloro-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]benzamide
CID 3971845
(2R)-2-amino-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide;trihydrochloride
CID 119902129
2-methylsulfanyl-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55691045
N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 650852
3-(3-fluorophenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 46474047
5-acetamido-2-fluoro-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60567845

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide (CID 60567676) is 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is CC(=O)Nc1ccc(F)c(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is RCFNNSCRQJHROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-20(33)30-23-11-12-26(28)25(17-23)27(34)29-18-21-7-5-6-8-22(21)19-31-13-15-32(16-14-31)24-9-3-2-4-10-24/h2-12,17H,13-16,18-19H2,1H3,(H,29,34)(H,30,33).
What are the key properties of 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide?
5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 460.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 60567676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).