N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide

C12H16BrNO3 — CID 106307317

IUPACN-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
SMILESO=C(NCCCOCCBr)c1ccccc1O
InChIInChI=1S/C12H16BrNO3/c13-6-9-17-8-3-7-14-12(16)10-4-1-2-5-11(10)15/h1-2,4-5,15H,3,6-9H2,(H,14,16)
InChIKeyRWQHTNGLJLNJTP-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide

N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide (PubChem CID 106307317) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
PubChem CID106307317
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
SMILESO=C(NCCCOCCBr)c1ccccc1O
InChIInChI=1S/C12H16BrNO3/c13-6-9-17-8-3-7-14-12(16)10-4-1-2-5-11(10)15/h1-2,4-5,15H,3,6-9H2,(H,14,16)
InChIKeyRWQHTNGLJLNJTP-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
N-[3-(2-bromoethoxy)propyl]-2-(difluoromethoxy)benzamide
CID 106307192
N-[3-(2-bromoethoxy)propyl]-2-chloro-3-fluorobenzamide
CID 114171447
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155
2-bromo-N-[2-(2-bromoethoxy)ethyl]benzamide
CID 114309215
N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
CID 106307533
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
2,3-dihydroxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 104936500
2-amino-N-[3-(2-hydroxyethoxy)propyl]benzamide
CID 106308242
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
N-[3-(2-bromoethoxy)propyl]-2,5-difluorobenzamide
CID 106307478
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide (CID 106307317) is N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide is O=C(NCCCOCCBr)c1ccccc1O.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide?
The InChIKey is RWQHTNGLJLNJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c13-6-9-17-8-3-7-14-12(16)10-4-1-2-5-11(10)15/h1-2,4-5,15H,3,6-9H2,(H,14,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide?
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide has a molecular weight of 302.17 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 106307317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).