N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

C21H23BrN2O — CID 8759157

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H23BrN2O/c1-23(15-19-9-5-6-10-20(19)22)21(25)16-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-16H2,1H3
InChIKeyHVOCTTMEUMNHMQ-UHFFFAOYSA-N
MW399.33 g/mol
LogP4.20
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide

N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (PubChem CID 8759157) has the molecular formula C21H23BrN2O and a molecular weight of 399.33 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
PubChem CID8759157
Molecular FormulaC21H23BrN2O
Molecular Weight399.33 g/mol
Exact Mass398.10
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
SMILESCN(Cc1ccccc1Br)C(=O)CN1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H23BrN2O/c1-23(15-19-9-5-6-10-20(19)22)21(25)16-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-16H2,1H3
InChIKeyHVOCTTMEUMNHMQ-UHFFFAOYSA-N
XLogP4.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754171
N-[(2-bromophenyl)methyl]-N-methyl-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975216
N-[(2-bromophenyl)methyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963656
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 8754167
N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8759156
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 18125117
1-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530726
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(2-bromophenyl)methyl]-N-methylacetamide
CID 120728275
N-[(2-bromophenyl)methyl]-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 62734419
N-benzyl-N-tert-butyl-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
CID 24682307

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide (CID 8759157) is N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is CN(Cc1ccccc1Br)C(=O)CN1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
The InChIKey is HVOCTTMEUMNHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O/c1-23(15-19-9-5-6-10-20(19)22)21(25)16-24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11H,12-16H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide has a molecular weight of 399.33 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide is sourced from PubChem (CID 8759157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).