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

C14H16ClFN2O — CID 107486730

IUPAC2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCNCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-6-10-4-7-17-8-5-10/h1-4,17H,5-9H2,(H,18,19)
InChIKeyHQCGPUKPESGRCU-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.52
Rot. Bonds4

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

2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107486730) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107486730
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESO=C(NCCC1=CCNCC1)c1c(F)cccc1Cl
InChIInChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-6-10-4-7-17-8-5-10/h1-4,17H,5-9H2,(H,18,19)
InChIKeyHQCGPUKPESGRCU-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.52
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-(2-chloro-6-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107487272
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
4-bromo-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487134
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
2-(4-fluorophenyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486971
2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486644
2-chloro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzamide
CID 114693546
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107486730) is 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is O=C(NCCC1=CCNCC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is HQCGPUKPESGRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c15-11-2-1-3-12(16)13(11)14(19)18-9-6-10-4-7-17-8-5-10/h1-4,17H,5-9H2,(H,18,19).
What are the key properties of 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 282.75 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107486730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).