N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide

C10H12BrNO2 — CID 82132454

IUPACN-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CO
InChIInChI=1S/C10H12BrNO2/c1-12(10(14)7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyGUGDXNOEQPXRCC-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.40
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 82132454) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID82132454
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC NameN-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)CO
InChIInChI=1S/C10H12BrNO2/c1-12(10(14)7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyGUGDXNOEQPXRCC-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82126542
N-[(4-bromophenyl)methyl]-N-methyldecanamide
CID 65428442
N-[(4-bromophenyl)methyl]-N-methyloctanamide
CID 63531159
N-[(4-bromophenyl)methyl]-3,3,3-trifluoro-N-methylpropanamide
CID 60731305
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
tert-butyl 4-[(4-bromophenyl)methyl-methylamino]-4-oxobutanoate
CID 106707116
N-[(4-bromophenyl)methyl]-N-methyl-N',N'-dipropylpentanediamide
CID 56538297
2-(4-bromophenyl)sulfanyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 26570911
N-[(4-bromophenyl)methyl]-3-(2,2-difluoroethoxy)-N-methylpropanamide
CID 103208559
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 112790122
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide (CID 82132454) is N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide is CN(Cc1ccc(Br)cc1)C(=O)CO.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is GUGDXNOEQPXRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-12(10(14)7-13)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 258.12 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 82132454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).