5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide

C15H15BrN2O — CID 65307460

IUPAC5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H15BrN2O/c1-10-6-7-12(16)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyWXHHWDDWPWAFHQ-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.64
Rot. Bonds3

About 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 65307460) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID65307460
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
SMILESCc1ccc(Br)cc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C15H15BrN2O/c1-10-6-7-12(16)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19)
InChIKeyWXHHWDDWPWAFHQ-UHFFFAOYSA-N
XLogP3.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(1-pyridin-2-ylethyl)-5-sulfanylbenzamide
CID 107022791
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719
5-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylbenzamide
CID 65311511
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
5-bromo-N-[1-(2,6-difluorophenyl)ethyl]-2-methylbenzamide
CID 65306853

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide (CID 65307460) is 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide is Cc1ccc(Br)cc1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is WXHHWDDWPWAFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-6-7-12(16)9-13(10)15(19)18-11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide?
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 65307460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).