N-(2-bromoethyl)-3-hydroxybenzamide

C9H10BrNO2 — CID 114307478

IUPACN-(2-bromoethyl)-3-hydroxybenzamide
SMILESO=C(NCCBr)c1cccc(O)c1
InChIInChI=1S/C9H10BrNO2/c10-4-5-11-9(13)7-2-1-3-8(12)6-7/h1-3,6,12H,4-5H2,(H,11,13)
InChIKeyLCKLGILXGICQPP-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.52
Rot. Bonds3

About N-(2-bromoethyl)-3-hydroxybenzamide

N-(2-bromoethyl)-3-hydroxybenzamide (PubChem CID 114307478) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is N-(2-bromoethyl)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3-hydroxybenzamide
PubChem CID114307478
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC NameN-(2-bromoethyl)-3-hydroxybenzamide
SMILESO=C(NCCBr)c1cccc(O)c1
InChIInChI=1S/C9H10BrNO2/c10-4-5-11-9(13)7-2-1-3-8(12)6-7/h1-3,6,12H,4-5H2,(H,11,13)
InChIKeyLCKLGILXGICQPP-UHFFFAOYSA-N
XLogP1.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.52
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

N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
CID 83120683
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744
N-ethyl-3-hydroxybenzamide
CID 13175248
3-hydroxy-N-octylbenzamide
CID 115568584
N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-(3-bromo-2-methylpropyl)-3-hydroxybenzamide
CID 114313254
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3-hydroxybenzamide?
The IUPAC name of N-(2-bromoethyl)-3-hydroxybenzamide (CID 114307478) is N-(2-bromoethyl)-3-hydroxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-3-hydroxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-3-hydroxybenzamide is O=C(NCCBr)c1cccc(O)c1.
What is the InChIKey of N-(2-bromoethyl)-3-hydroxybenzamide?
The InChIKey is LCKLGILXGICQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-4-5-11-9(13)7-2-1-3-8(12)6-7/h1-3,6,12H,4-5H2,(H,11,13).
What are the key properties of N-(2-bromoethyl)-3-hydroxybenzamide?
N-(2-bromoethyl)-3-hydroxybenzamide has a molecular weight of 244.09 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3-hydroxybenzamide is sourced from PubChem (CID 114307478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).