(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide

C16H17BrN2O2 — CID 129406934

IUPAC(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
SMILESC[C@@](O)(CCc1ccccc1)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-16(21,9-7-12-5-3-2-4-6-12)15(20)19-13-8-10-18-14(17)11-13/h2-6,8,10-11,21H,7,9H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyPXNNPZDHXHIUML-MRXNPFEDSA-N
MW349.23 g/mol
LogP3.17
Rot. Bonds5

About (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide

(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide (PubChem CID 129406934) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
PubChem CID129406934
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide
SMILESC[C@@](O)(CCc1ccccc1)C(=O)Nc1ccnc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-16(21,9-7-12-5-3-2-4-6-12)15(20)19-13-8-10-18-14(17)11-13/h2-6,8,10-11,21H,7,9H2,1H3,(H,18,19,20)/t16-/m1/s1
InChIKeyPXNNPZDHXHIUML-MRXNPFEDSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylbutanamide
CID 124640256
N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methylheptanamide
CID 71558084
N,2-dihydroxy-2-methyl-4-phenylbutanamide
CID 18686340
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 59129789
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
ethane;(2S)-2-hydroxy-N-[4-isocyano-3-(trifluoromethyl)phenyl]-2-methyl-4-pyridin-3-ylbutanamide
CID 90810434
N-(2-bromo-4-pyridinyl)-3,3,3-trifluoropropanamide
CID 130752361
4-hydroxy-4-methyl-6-phenylhexan-3-one
CID 145233910
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-4-pyridin-4-ylbutanamide
CID 58860949
(2S)-4-(4-bromophenyl)-2-hydroxy-2-methyl-N-(4-nitrobenzene-5-id-1-yl)butanamide;yttrium
CID 58729198
(2S)-2-amino-N-(2-bromo-4-pyridinyl)propanamide
CID 130857652

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide?
The IUPAC name of (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide (CID 129406934) is (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide.
What is the SMILES notation for (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide?
The canonical SMILES for (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide is C[C@@](O)(CCc1ccccc1)C(=O)Nc1ccnc(Br)c1.
What is the InChIKey of (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide?
The InChIKey is PXNNPZDHXHIUML-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-16(21,9-7-12-5-3-2-4-6-12)15(20)19-13-8-10-18-14(17)11-13/h2-6,8,10-11,21H,7,9H2,1H3,(H,18,19,20)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide?
(2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide has a molecular weight of 349.23 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-bromo-4-pyridinyl)-2-hydroxy-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 129406934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).