4-(2-bromoethyl)-3-methoxybenzamide

C10H12BrNO2 — CID 123699479

IUPAC4-(2-bromoethyl)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1CCBr
InChIInChI=1S/C10H12BrNO2/c1-14-9-6-8(10(12)13)3-2-7(9)4-5-11/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChIKeyWJKCTGTXTNGRRI-UHFFFAOYSA-N
MW258.11 g/mol
LogP1.73
Rot. Bonds4

About 4-(2-bromoethyl)-3-methoxybenzamide

4-(2-bromoethyl)-3-methoxybenzamide (PubChem CID 123699479) has the molecular formula C10H12BrNO2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 4-(2-bromoethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-bromoethyl)-3-methoxybenzamide
PubChem CID123699479
Molecular FormulaC10H12BrNO2
Molecular Weight258.11 g/mol
Exact Mass257.01
IUPAC Name4-(2-bromoethyl)-3-methoxybenzamide
SMILESCOc1cc(C(N)=O)ccc1CCBr
InChIInChI=1S/C10H12BrNO2/c1-14-9-6-8(10(12)13)3-2-7(9)4-5-11/h2-3,6H,4-5H2,1H3,(H2,12,13)
InChIKeyWJKCTGTXTNGRRI-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-3-[2-(2-methoxy-4-propanoylphenyl)ethyl]benzamide
CID 143067899
tert-butyl 4-(2-bromoethyl)-3-methoxybenzoate
CID 70352106
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
methyl 4-(2-aminoethyl)-3-methoxybenzoate;hydrochloride
CID 67396298
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666
3-ethylbenzamide;4-ethyl-3-methoxybenzamide;prop-1-ene
CID 143067890
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
4-methoxy-3-pentoxybenzamide
CID 82041442
4-butoxy-3-methoxybenzamide
CID 47102628
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoethyl)-3-methoxybenzamide?
The IUPAC name of 4-(2-bromoethyl)-3-methoxybenzamide (CID 123699479) is 4-(2-bromoethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(2-bromoethyl)-3-methoxybenzamide?
The canonical SMILES for 4-(2-bromoethyl)-3-methoxybenzamide is COc1cc(C(N)=O)ccc1CCBr.
What is the InChIKey of 4-(2-bromoethyl)-3-methoxybenzamide?
The InChIKey is WJKCTGTXTNGRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c1-14-9-6-8(10(12)13)3-2-7(9)4-5-11/h2-3,6H,4-5H2,1H3,(H2,12,13).
What are the key properties of 4-(2-bromoethyl)-3-methoxybenzamide?
4-(2-bromoethyl)-3-methoxybenzamide has a molecular weight of 258.11 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)-3-methoxybenzamide is sourced from PubChem (CID 123699479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).