N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide

C15H15BrN2O — CID 62690187

IUPACN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)Cc1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-18(11-13-4-2-6-14(16)8-13)15(19)9-12-5-3-7-17-10-12/h2-8,10H,9,11H2,1H3
InChIKeyOXZIENNAVTURTM-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.05
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide

N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide (PubChem CID 62690187) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
PubChem CID62690187
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
SMILESCN(Cc1cccc(Br)c1)C(=O)Cc1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-18(11-13-4-2-6-14(16)8-13)15(19)9-12-5-3-7-17-10-12/h2-8,10H,9,11H2,1H3
InChIKeyOXZIENNAVTURTM-UHFFFAOYSA-N
XLogP3.05
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
N-[(3-bromophenyl)methyl]-2-(4-hydroxyphenyl)-N-methylacetamide
CID 61416728
2-(3-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724716
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 95690418
N-(5-bromopentyl)-N-methyl-2-pyridin-3-ylacetamide
CID 58870383
N-[(3-bromophenyl)methyl]-N-methylpyrimidine-5-carboxamide
CID 104626014
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 86912439
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
methyl 3-[methyl-(2-pyridin-3-ylacetyl)amino]propanoate
CID 62691426
methyl 4-[(3-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 94721985
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43401146

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide (CID 62690187) is N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide is CN(Cc1cccc(Br)c1)C(=O)Cc1cccnc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide?
The InChIKey is OXZIENNAVTURTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-18(11-13-4-2-6-14(16)8-13)15(19)9-12-5-3-7-17-10-12/h2-8,10H,9,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide?
N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide has a molecular weight of 319.20 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 62690187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).