3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

C22H26FN3O2 — CID 47050208

IUPAC3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN3O2/c1-16-9-12-26(13-10-16)14-11-24-21(27)18-3-2-4-20(15-18)25-22(28)17-5-7-19(23)8-6-17/h2-8,15-16H,9-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyPLXUKWLJPFLWGS-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.54
Rot. Bonds6

About 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide

3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 47050208) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID47050208
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
SMILESCC1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1
InChIInChI=1S/C22H26FN3O2/c1-16-9-12-26(13-10-16)14-11-24-21(27)18-3-2-4-20(15-18)25-22(28)17-5-7-19(23)8-6-17/h2-8,15-16H,9-14H2,1H3,(H,24,27)(H,25,28)
InChIKeyPLXUKWLJPFLWGS-UHFFFAOYSA-N
XLogP3.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
3-[(4-fluorobenzoyl)amino]-N-(2-hydroxyethyl)benzamide
CID 110888564
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
3-fluoro-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581644
3-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzamide
CID 53283593
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
N-[3-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55657688
N'-[3-(cyclopropylcarbamoyl)phenyl]-N-[3-(4-methylpiperidin-1-yl)propyl]oxamide
CID 86996575
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide (CID 47050208) is 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is CC1CCN(CCNC(=O)c2cccc(NC(=O)c3ccc(F)cc3)c2)CC1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is PLXUKWLJPFLWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-9-12-26(13-10-16)14-11-24-21(27)18-3-2-4-20(15-18)25-22(28)17-5-7-19(23)8-6-17/h2-8,15-16H,9-14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide?
3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 383.47 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 47050208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).