2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide

C16H17BrN2O — CID 95690418

IUPAC2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](c1cccnc1)N(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12(14-6-4-8-18-11-14)19(2)16(20)10-13-5-3-7-15(17)9-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyOLMMVURGJXRIMO-GFCCVEGCSA-N
MW333.23 g/mol
LogP3.61
Rot. Bonds4

About 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide

2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide (PubChem CID 95690418) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
PubChem CID95690418
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide
SMILESC[C@H](c1cccnc1)N(C)C(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-12(14-6-4-8-18-11-14)19(2)16(20)10-13-5-3-7-15(17)9-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1
InChIKeyOLMMVURGJXRIMO-GFCCVEGCSA-N
XLogP3.61
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 62690187
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-4-ylpropyl]acetamide
CID 129381110
(2S)-2-(3-bromophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 97331831
2-(3-bromophenyl)-N-(2-bromopropyl)-N-methylacetamide
CID 80665086
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
3-[1-bromo-2-(3-bromophenyl)ethyl]pyridine
CID 63018745
3-[2-(3-hydroxyphenyl)ethyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95762797
2-(3-methoxyphenyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 134054231
5-chloro-N-methyl-N-(1-pyridin-3-ylethyl)furan-2-carboxamide
CID 86858321
3-[3-(3-fluorophenyl)propyl]-1-methyl-1-[(1S)-1-pyridin-3-ylethyl]urea
CID 95264423
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877
2-(3-bromophenyl)-N-methyl-N-phenylacetamide
CID 22341541

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide (CID 95690418) is 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide is C[C@H](c1cccnc1)N(C)C(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
The InChIKey is OLMMVURGJXRIMO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-12(14-6-4-8-18-11-14)19(2)16(20)10-13-5-3-7-15(17)9-13/h3-9,11-12H,10H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide?
2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide has a molecular weight of 333.23 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-methyl-N-[(1R)-1-pyridin-3-ylethyl]acetamide is sourced from PubChem (CID 95690418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).