5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide

C14H18BrFN2O — CID 62046369

IUPAC5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyNNSKDNTVLGCVFE-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.71
Rot. Bonds3

About 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide

5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide (PubChem CID 62046369) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
PubChem CID62046369
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Br)ccc1F)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyNNSKDNTVLGCVFE-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
4-fluoro-2-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014713
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 55144400
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
CID 103806067
2-fluoro-4-methoxy-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474156
2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
2-fluoro-5-methyl-N-(1-piperidin-4-ylethyl)benzamide
CID 62515843
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
2,5-difluoro-N-(1-piperidin-4-ylethyl)benzamide
CID 43523182

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide (CID 62046369) is 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide is CC(NC(=O)c1cc(Br)ccc1F)C1CCCNC1.
What is the InChIKey of 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
The InChIKey is NNSKDNTVLGCVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-9(10-3-2-6-17-8-10)18-14(19)12-7-11(15)4-5-13(12)16/h4-5,7,9-10,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide?
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide has a molecular weight of 329.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 62046369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).