(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide

C15H15BrN2O2 — CID 97326609

IUPAC(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ncc(C)cc1Br)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10-8-12(16)14(17-9-10)18-15(19)13(20-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyZEIRTNQRFSSGDU-ZDUSSCGKSA-N
MW335.20 g/mol
LogP3.48
Rot. Bonds4

About (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide

(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide (PubChem CID 97326609) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
PubChem CID97326609
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
SMILESCO[C@H](C(=O)Nc1ncc(C)cc1Br)c1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-10-8-12(16)14(17-9-10)18-15(19)13(20-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,17,18,19)/t13-/m0/s1
InChIKeyZEIRTNQRFSSGDU-ZDUSSCGKSA-N
XLogP3.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442
(2R)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-methoxy-2-phenylacetohydrazide
CID 40572245
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
CID 127009526
N-(4-bromo-2-fluorophenyl)-2-methoxy-2-phenylacetamide
CID 2956612
(2S)-2-methoxy-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-phenylacetamide
CID 99949568
(2R)-2-methoxy-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 883174
N-(2-amino-4-methylphenyl)-2-methoxy-2-phenylacetamide
CID 62099409
N-(2-acetamido-5-methylphenyl)-2-methoxy-2-phenylacetamide
CID 75475764
N-(5-amino-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 62099407
N-(3-bromo-5-methyl-2-pyridinyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 119042897
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186
(2S)-2-methoxy-2-phenyl-N-pyridin-3-ylacetamide
CID 51604927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide (CID 97326609) is (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide is CO[C@H](C(=O)Nc1ncc(C)cc1Br)c1ccccc1.
What is the InChIKey of (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide?
The InChIKey is ZEIRTNQRFSSGDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-10-8-12(16)14(17-9-10)18-15(19)13(20-2)11-6-4-3-5-7-11/h3-9,13H,1-2H3,(H,17,18,19)/t13-/m0/s1.
What are the key properties of (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide?
(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 97326609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).