2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide

C14H16BrFN2O — CID 107486644

IUPAC2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCNCC1)c1ccc(F)cc1Br
InChIInChI=1S/C14H16BrFN2O/c15-13-9-11(16)1-2-12(13)14(19)18-8-5-10-3-6-17-7-4-10/h1-3,9,17H,4-8H2,(H,18,19)
InChIKeyWUOUJPJDJDVTPG-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.63
Rot. Bonds4

About 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide

2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107486644) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107486644
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCNCC1)c1ccc(F)cc1Br
InChIInChI=1S/C14H16BrFN2O/c15-13-9-11(16)1-2-12(13)14(19)18-8-5-10-3-6-17-7-4-10/h1-3,9,17H,4-8H2,(H,18,19)
InChIKeyWUOUJPJDJDVTPG-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487324
4-bromo-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487134
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730
2-bromo-4-fluoro-N-(4,4,4-trifluorobutyl)benzamide
CID 79039788
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487552
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107486644) is 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is O=C(NCCC1=CCNCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is WUOUJPJDJDVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c15-13-9-11(16)1-2-12(13)14(19)18-8-5-10-3-6-17-7-4-10/h1-3,9,17H,4-8H2,(H,18,19).
What are the key properties of 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 327.20 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107486644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).