(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide

C11H13BrClNO2 — CID 58619258

IUPAC(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)CBr)ccc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7-5-8(3-4-9(7)13)14-10(15)11(2,16)6-12/h3-5,16H,6H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyJYBZRZRPFWYAST-NSHDSACASA-N
MW306.59 g/mol
LogP2.73
Rot. Bonds3

About (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide

(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 58619258) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID58619258
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1cc(NC(=O)[C@@](C)(O)CBr)ccc1Cl
InChIInChI=1S/C11H13BrClNO2/c1-7-5-8(3-4-9(7)13)14-10(15)11(2,16)6-12/h3-5,16H,6H2,1-2H3,(H,14,15)/t11-/m0/s1
InChIKeyJYBZRZRPFWYAST-NSHDSACASA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-chloro-3-methylphenyl)propanamide
CID 82110631
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
(2R)-3-bromo-N-(4-cyano-3-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 167451822
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 166441361
(2R)-3-bromo-2-hydroxy-N-(4-isocyano-3-methylphenyl)-2-methylpropanamide;(2R)-3-bromo-2-hydroxy-2-methylpropanoic acid;bis((2R)-3-bromo-2-hydroxy-2-methylpropanoyl chloride);4-isocyano-3-methylaniline
CID 162172591
3-chloro-N-(3-chloro-4-methylphenyl)-2,2-dimethylpropanamide
CID 63679947
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-(113C)methylidyne(15N)azaniumyl-3-(trifluoromethyl)phenyl]propanamide
CID 59140696
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
methyl 5-[(3-bromo-2-hydroxy-2-methylpropanoyl)amino]-2-cyanobenzoate
CID 68958667
ethyl 2-(4-chloro-3-methylanilino)-2-oxoacetate
CID 121223568
1-amino-3-(4-chloro-3-methylphenyl)-1-methylurea
CID 178164527
2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
CID 114250279

Frequently Asked Questions

What is the IUPAC name of (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide (CID 58619258) is (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide is Cc1cc(NC(=O)[C@@](C)(O)CBr)ccc1Cl.
What is the InChIKey of (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is JYBZRZRPFWYAST-NSHDSACASA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7-5-8(3-4-9(7)13)14-10(15)11(2,16)6-12/h3-5,16H,6H2,1-2H3,(H,14,15)/t11-/m0/s1.
What are the key properties of (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide?
(2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 306.59 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-bromo-N-(4-chloro-3-methylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 58619258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).