N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

C26H27FN4O2 — CID 34735668

IUPACN-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H27FN4O2/c1-19-5-4-6-22(17-19)31-15-13-30(14-16-31)18-25(32)29-24-8-3-2-7-23(24)26(33)28-21-11-9-20(27)10-12-21/h2-12,17H,13-16,18H2,1H3,(H,28,33)(H,29,32)
InChIKeyJKNZGBOFSXOLAY-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.15
Rot. Bonds6

About N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide

N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 34735668) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID34735668
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)CC2)c1
InChIInChI=1S/C26H27FN4O2/c1-19-5-4-6-22(17-19)31-15-13-30(14-16-31)18-25(32)29-24-8-3-2-7-23(24)26(33)28-21-11-9-20(27)10-12-21/h2-12,17H,13-16,18H2,1H3,(H,28,33)(H,29,32)
InChIKeyJKNZGBOFSXOLAY-UHFFFAOYSA-N
XLogP4.15
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34734655
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
N-methyl-4-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735853
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(2-tert-butylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34736252
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514
2-[[2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55850964
2-[4-(3-methylphenyl)piperazin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 18124603
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 34735668) is N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)Nc3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is JKNZGBOFSXOLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-19-5-4-6-22(17-19)31-15-13-30(14-16-31)18-25(32)29-24-8-3-2-7-23(24)26(33)28-21-11-9-20(27)10-12-21/h2-12,17H,13-16,18H2,1H3,(H,28,33)(H,29,32).
What are the key properties of N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide?
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 34735668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).