4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide

C14H18BrFN2O — CID 54923872

IUPAC4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H18BrFN2O/c1-2-18(11-5-7-17-8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyWGKXFCCERKWDLT-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.80
Rot. Bonds3

About 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide

4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide (PubChem CID 54923872) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
PubChem CID54923872
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H18BrFN2O/c1-2-18(11-5-7-17-8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11,17H,2,5-8H2,1H3
InChIKeyWGKXFCCERKWDLT-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
4-chloro-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299739
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073
4-bromo-N-cyclopentyl-2-fluoro-N-(2-methylpropyl)benzamide
CID 112725824
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
3-chloro-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 81264812
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 43243374

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The IUPAC name of 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide (CID 54923872) is 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The canonical SMILES for 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide is CCN(C(=O)c1ccc(Br)cc1F)C1CCNCC1.
What is the InChIKey of 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
The InChIKey is WGKXFCCERKWDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-2-18(11-5-7-17-8-6-11)14(19)12-4-3-10(15)9-13(12)16/h3-4,9,11,17H,2,5-8H2,1H3.
What are the key properties of 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide?
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide has a molecular weight of 329.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 54923872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).