N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide

C12H16BrNO3 — CID 106307533

IUPACN-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
SMILESO=C(NCCCOCCBr)c1ccc(O)cc1
InChIInChI=1S/C12H16BrNO3/c13-6-9-17-8-1-7-14-12(16)10-2-4-11(15)5-3-10/h2-5,15H,1,6-9H2,(H,14,16)
InChIKeyYFOOMFAVBVJZMA-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.92
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide

N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide (PubChem CID 106307533) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
PubChem CID106307533
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide
SMILESO=C(NCCCOCCBr)c1ccc(O)cc1
InChIInChI=1S/C12H16BrNO3/c13-6-9-17-8-1-7-14-12(16)10-2-4-11(15)5-3-10/h2-5,15H,1,6-9H2,(H,14,16)
InChIKeyYFOOMFAVBVJZMA-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]-4-chlorobenzamide
CID 106307307
N-[3-(2-bromoethoxy)propyl]-4-ethylbenzamide
CID 114171510
N-[3-(2-bromoethoxy)propyl]thiophene-3-carboxamide
CID 106307182
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[3-(2-bromoethoxy)propyl]-3-chloro-4-fluorobenzamide
CID 114171496
4-[3-(2-methoxyethoxy)propylcarbamoyl]benzoic acid
CID 103790262
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134028875
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[3-(2-bromoethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171422
N-[2-(2-bromoethoxy)ethyl]-4-nitrobenzamide
CID 114309382
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
N-(5-aminopentyl)-4-hydroxybenzamide
CID 11459592

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide (CID 106307533) is N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide is O=C(NCCCOCCBr)c1ccc(O)cc1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide?
The InChIKey is YFOOMFAVBVJZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c13-6-9-17-8-1-7-14-12(16)10-2-4-11(15)5-3-10/h2-5,15H,1,6-9H2,(H,14,16).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-4-hydroxybenzamide?
N-[3-(2-bromoethoxy)propyl]-4-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]-4-hydroxybenzamide is sourced from PubChem (CID 106307533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).