N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide

C9H10BrNO2 — CID 123237382

IUPACN-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
SMILESCc1c(Br)cccc1NC(=O)CO
InChIInChI=1S/C9H10BrNO2/c1-6-7(10)3-2-4-8(6)11-9(13)5-12/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyCBYFWYZERXXPQT-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.69
Rot. Bonds2

About N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide

N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide (PubChem CID 123237382) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
PubChem CID123237382
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
SMILESCc1c(Br)cccc1NC(=O)CO
InChIInChI=1S/C9H10BrNO2/c1-6-7(10)3-2-4-8(6)11-9(13)5-12/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyCBYFWYZERXXPQT-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(3-bromo-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107625152
2-anilino-N-(3-bromo-2-methylphenyl)acetamide
CID 50874354
N-(3-bromo-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107638371
3-amino-N-(3-bromo-2-methylphenyl)-5,5-dimethylhexanamide
CID 107625116
N-(3-bromo-2-methylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 113230236
2-[(3-bromo-2-methylphenyl)carbamoyl-methylamino]acetic acid
CID 107627390
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
3-(4-aminophenoxy)-N-(3-bromo-2-methylphenyl)propanamide
CID 107623924
N'-(3-bromo-2-methylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 110924001
N-(3-bromo-2-methylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119706176
2-[(3-bromo-2-methylphenyl)carbamoylamino]oxyacetic acid
CID 107627485

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide?
The IUPAC name of N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide (CID 123237382) is N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide.
What is the SMILES notation for N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide?
The canonical SMILES for N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide is Cc1c(Br)cccc1NC(=O)CO.
What is the InChIKey of N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide?
The InChIKey is CBYFWYZERXXPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6-7(10)3-2-4-8(6)11-9(13)5-12/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide?
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide has a molecular weight of 244.09 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide is sourced from PubChem (CID 123237382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).