N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide

C14H20BrNO3 — CID 80662499

IUPACN-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(CCBr)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20BrNO3/c1-3-4-8-16(9-7-15)14(18)12-10-11(19-2)5-6-13(12)17/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyMDOMBKRZXMFTKP-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.04
Rot. Bonds7

About N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide

N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide (PubChem CID 80662499) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
PubChem CID80662499
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC NameN-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
SMILESCCCCN(CCBr)C(=O)c1cc(OC)ccc1O
InChIInChI=1S/C14H20BrNO3/c1-3-4-8-16(9-7-15)14(18)12-10-11(19-2)5-6-13(12)17/h5-6,10,17H,3-4,7-9H2,1-2H3
InChIKeyMDOMBKRZXMFTKP-UHFFFAOYSA-N
XLogP3.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
N-(2-bromoethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 80666154
N-benzoyl-N-butyl-2-hydroxy-5-methoxybenzamide
CID 11771780
2-bromo-N-hexyl-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 61026260
N-(3-bromopropyl)-N-cyclobutyl-2-hydroxy-5-methoxybenzamide
CID 102872287
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N,N-dibutyl-4-methoxybenzamide
CID 2163395
N-ethyl-2-hydroxy-5-methoxy-N-(2-methylbutyl)benzamide
CID 79470067
N-ethyl-2-hydroxy-5-methoxy-N-prop-2-ynylbenzamide
CID 78971160
N-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide (CID 80662499) is N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide is CCCCN(CCBr)C(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
The InChIKey is MDOMBKRZXMFTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-3-4-8-16(9-7-15)14(18)12-10-11(19-2)5-6-13(12)17/h5-6,10,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide?
N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide has a molecular weight of 330.22 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 80662499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).