N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide

C10H12BrNO2 — CID 22563212

IUPACN-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CBr)cc1
InChIInChI=1S/C10H12BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5,10,14H,6H2,1H3,(H,12,13)
InChIKeyFKEBVMGNMWCQKA-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.07
Rot. Bonds3

About N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide

N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide (PubChem CID 22563212) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
PubChem CID22563212
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC NameN-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)CBr)cc1
InChIInChI=1S/C10H12BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5,10,14H,6H2,1H3,(H,12,13)
InChIKeyFKEBVMGNMWCQKA-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.07
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

(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
N-[4-[2-[2-(4-acetamidophenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]phenyl]acetamide
CID 86739754
2-[[2-(4-acetamidophenyl)-2-hydroxyethyl]amino]acetic acid
CID 82314595
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
CID 171862528
N-[4-[(2S)-2-(4-fluorophenyl)-2-hydroxyethoxy]phenyl]acetamide
CID 34529749
N-[4-[2-(2,6-dimethylpiperidin-1-yl)-1-hydroxyethyl]phenyl]acetamide
CID 82216315
N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
N-[4-[(1S,2R)-1-amino-2-hydroxy-3-methylpentyl]phenyl]acetamide
CID 171268646
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
2-bromo-1-(4-tert-butylphenyl)ethanol
CID 79021934

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide?
The IUPAC name of N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide (CID 22563212) is N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide is CC(=O)Nc1ccc(C(O)CBr)cc1.
What is the InChIKey of N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide?
The InChIKey is FKEBVMGNMWCQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-7(13)12-9-4-2-8(3-5-9)10(14)6-11/h2-5,10,14H,6H2,1H3,(H,12,13).
What are the key properties of N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide?
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide has a molecular weight of 258.11 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 22563212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).