N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide

C9H9BrClNO2 — CID 114307488

IUPACN-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
SMILESO=C(NCCBr)c1ccc(Cl)cc1O
InChIInChI=1S/C9H9BrClNO2/c10-3-4-12-9(14)7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyBIHKMWBQMMBNJU-UHFFFAOYSA-N
MW278.53 g/mol
LogP2.17
Rot. Bonds3

About N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide

N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide (PubChem CID 114307488) has the molecular formula C9H9BrClNO2 and a molecular weight of 278.53 g/mol. Its IUPAC name is N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
PubChem CID114307488
Molecular FormulaC9H9BrClNO2
Molecular Weight278.53 g/mol
Exact Mass276.95
IUPAC NameN-(2-bromoethyl)-4-chloro-2-hydroxybenzamide
SMILESO=C(NCCBr)c1ccc(Cl)cc1O
InChIInChI=1S/C9H9BrClNO2/c10-3-4-12-9(14)7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14)
InChIKeyBIHKMWBQMMBNJU-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.53
LogP ≤ 52.17
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

4-chloro-2-hydroxy-N-(3-methoxypropyl)benzamide
CID 43090061
4-chloro-2-hydroxy-N-(5-iodopentyl)benzamide
CID 107322316
sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
4-chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-hydroxybenzamide
CID 28537404
N-(3-bromopropyl)-5-chloro-2-hydroxybenzamide
CID 114307431
N-(2-bromoprop-2-enyl)-4-chloro-2-hydroxybenzamide
CID 115595089
4-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634790
4-chloro-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598912
4-chloro-N-(2-chloropropyl)-2-hydroxybenzamide
CID 114296442
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxybenzamide
CID 106339696
4-chloro-2-hydroxy-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415090
4-chloro-N-[2-(2,2-difluoroethoxy)ethyl]-2-hydroxybenzamide
CID 103097023

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide?
The IUPAC name of N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide (CID 114307488) is N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide is O=C(NCCBr)c1ccc(Cl)cc1O.
What is the InChIKey of N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide?
The InChIKey is BIHKMWBQMMBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO2/c10-3-4-12-9(14)7-2-1-6(11)5-8(7)13/h1-2,5,13H,3-4H2,(H,12,14).
What are the key properties of N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide?
N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide has a molecular weight of 278.53 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-4-chloro-2-hydroxybenzamide is sourced from PubChem (CID 114307488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).