N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide

C9H10BrNO2 — CID 130718807

IUPACN-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Br)c1CO
InChIInChI=1S/C9H10BrNO2/c1-6(13)11-9-4-2-3-8(10)7(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyKBKXXLPIXDMWLU-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.90
Rot. Bonds2

About N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide

N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide (PubChem CID 130718807) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
PubChem CID130718807
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-[3-bromo-2-(hydroxymethyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Br)c1CO
InChIInChI=1S/C9H10BrNO2/c1-6(13)11-9-4-2-3-8(10)7(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)
InChIKeyKBKXXLPIXDMWLU-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)-3-methylphenyl]acetamide
CID 14368464
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 156854434
[2-bromo-6-(3-methylbutan-2-ylamino)phenyl]methanol
CID 115929258
3-[3-bromo-2-(hydroxymethyl)anilino]butanamide
CID 115929266
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-[2-(1-aminocyclopropyl)-3-bromophenyl]acetamide
CID 115050115
N-(3-chloro-2-ethylphenyl)acetamide
CID 67890650
N-(3-bromo-2-methylphenyl)-2-hydroxyacetamide
CID 123237382
[2-bromo-6-[(2-methylcyclopentyl)amino]phenyl]methanol
CID 115885001

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide?
The IUPAC name of N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide (CID 130718807) is N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide?
The canonical SMILES for N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide is CC(=O)Nc1cccc(Br)c1CO.
What is the InChIKey of N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide?
The InChIKey is KBKXXLPIXDMWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-6(13)11-9-4-2-3-8(10)7(9)5-12/h2-4,12H,5H2,1H3,(H,11,13).
What are the key properties of N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide?
N-[3-bromo-2-(hydroxymethyl)phenyl]acetamide has a molecular weight of 244.09 g/mol, XLogP of 1.90, 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-(hydroxymethyl)phenyl]acetamide is sourced from PubChem (CID 130718807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).