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

C15H19BrN2O — CID 107487324

IUPAC2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2=CCNCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-11-2-3-13(14(16)10-11)15(19)18-9-6-12-4-7-17-8-5-12/h2-4,10,17H,5-9H2,1H3,(H,18,19)
InChIKeyKFNSXPGUOYXFJZ-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.80
Rot. Bonds4

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

2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (PubChem CID 107487324) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
PubChem CID107487324
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCC2=CCNCC2)c(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-11-2-3-13(14(16)10-11)15(19)18-9-6-12-4-7-17-8-5-12/h2-4,10,17H,5-9H2,1H3,(H,18,19)
InChIKeyKFNSXPGUOYXFJZ-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.80
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

2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
2-bromo-4-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486644
2-methoxy-5-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487552
4-bromo-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487134
3,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486641
2,4-dichloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487012
2-bromo-3-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486823
2,5-dimethoxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486788
5-chloro-2-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486985
3-methyl-2-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487487
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
2-bromo-4-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104971649

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The IUPAC name of 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide (CID 107487324) is 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is Cc1ccc(C(=O)NCCC2=CCNCC2)c(Br)c1.
What is the InChIKey of 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
The InChIKey is KFNSXPGUOYXFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-11-2-3-13(14(16)10-11)15(19)18-9-6-12-4-7-17-8-5-12/h2-4,10,17H,5-9H2,1H3,(H,18,19).
What are the key properties of 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide?
2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide has a molecular weight of 323.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide is sourced from PubChem (CID 107487324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).