N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide

C14H16BrFN2O2 — CID 103706469

IUPACN-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H16BrFN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20)
InChIKeyNVCIMSHZCOXCGG-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.33
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide

N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide (PubChem CID 103706469) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
PubChem CID103706469
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide
SMILESCC(=O)N1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C14H16BrFN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20)
InChIKeyNVCIMSHZCOXCGG-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-bromo-4-chlorobenzamide
CID 103841550
methyl (3R)-3-[(3-bromo-4-fluorobenzoyl)amino]pyrrolidine-1-carboxylate
CID 96565875
3-bromo-4-fluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 103707349
3-bromo-4-fluoro-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 103706617
1-[4-(3-bromo-4-fluorobenzoyl)piperazin-1-yl]ethanone
CID 103706279
3-bromo-4-fluoro-N-[(3R)-piperidin-3-yl]benzamide
CID 99849634
N-(1-acetylpiperidin-4-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103611671
N-(azepan-3-yl)-3-bromo-4-fluorobenzamide
CID 114020396
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
4-bromo-3-fluoro-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110825
N-(1-acetylpiperidin-4-yl)-4-cyanobenzamide
CID 17463259

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide (CID 103706469) is N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide is CC(=O)N1CCC(NC(=O)c2ccc(F)c(Br)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide?
The InChIKey is NVCIMSHZCOXCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-9(19)18-6-4-11(5-7-18)17-14(20)10-2-3-13(16)12(15)8-10/h2-3,8,11H,4-7H2,1H3,(H,17,20).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide?
N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide has a molecular weight of 343.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103706469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).