3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide

C14H18BrFN2O — CID 63637955

IUPAC3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(F)cc(Br)c1)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-2-18(13-4-3-5-17-9-13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3
InChIKeyNRNWSDZAFIPMDV-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.80
Rot. Bonds3

About 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide

3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide (PubChem CID 63637955) has the molecular formula C14H18BrFN2O and a molecular weight of 329.21 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
PubChem CID63637955
Molecular FormulaC14H18BrFN2O
Molecular Weight329.21 g/mol
Exact Mass328.06
IUPAC Name3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide
SMILESCCN(C(=O)c1cc(F)cc(Br)c1)C1CCCNC1
InChIInChI=1S/C14H18BrFN2O/c1-2-18(13-4-3-5-17-9-13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3
InChIKeyNRNWSDZAFIPMDV-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

3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
3-bromo-N-(2-bromoethyl)-N-cyclopentyl-5-fluorobenzamide
CID 80658999
5-chloro-N-ethyl-2-fluoro-N-piperidin-3-ylbenzamide
CID 63637963
N-ethyl-N-piperidin-3-ylpyridazine-4-carboxamide
CID 104671440
4-ethoxy-N-ethyl-N-piperidin-3-ylbenzamide
CID 60807243
4-bromo-N-ethyl-N-piperidin-3-yl-1-propylpyrrole-2-carboxamide
CID 63636908
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
N-ethyl-6-methyl-N-piperidin-3-ylpyridine-3-carboxamide
CID 63636559
N-ethyl-3-nitro-N-piperidin-3-ylbenzamide
CID 63636738
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302
N-ethyl-2-methyl-N-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 65198740

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide?
The IUPAC name of 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide (CID 63637955) is 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide?
The canonical SMILES for 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide is CCN(C(=O)c1cc(F)cc(Br)c1)C1CCCNC1.
What is the InChIKey of 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide?
The InChIKey is NRNWSDZAFIPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O/c1-2-18(13-4-3-5-17-9-13)14(19)10-6-11(15)8-12(16)7-10/h6-8,13,17H,2-5,9H2,1H3.
What are the key properties of 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide?
3-bromo-N-ethyl-5-fluoro-N-piperidin-3-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 3-bromo-N-ethyl-5-fluoro-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 63637955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).