2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide

C12H17BrN2O2 — CID 61166790

IUPAC2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(Br)c1COC
InChIInChI=1S/C12H17BrN2O2/c1-3-14-12(16)7-15-11-6-4-5-10(13)9(11)8-17-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyOZMVSGSDEYRBER-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.14
Rot. Bonds6

About 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide

2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide (PubChem CID 61166790) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
PubChem CID61166790
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
SMILESCCNC(=O)CNc1cccc(Br)c1COC
InChIInChI=1S/C12H17BrN2O2/c1-3-14-12(16)7-15-11-6-4-5-10(13)9(11)8-17-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyOZMVSGSDEYRBER-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-2-(methoxymethyl)anilino]-N-cyclohexylacetamide
CID 61168560
butyl 2-[3-bromo-2-(methoxymethyl)anilino]acetate
CID 61166195
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
CID 62836118
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
methyl 2-bromo-3-[3-bromo-2-(methoxymethyl)anilino]propanoate
CID 103242753
3-bromo-N-[(4-ethylphenyl)methyl]-2-(methoxymethyl)aniline
CID 63452483
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
3-bromo-2-(methoxymethyl)-N-(3-methoxypropyl)aniline
CID 61166782
N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
[5-[[3-bromo-2-(methoxymethyl)anilino]methyl]furan-2-yl]methanol
CID 64591230
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
2-(2-bromoanilino)-N-(ethylcarbamoyl)acetamide
CID 42069173

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide?
The IUPAC name of 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide (CID 61166790) is 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide.
What is the SMILES notation for 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide?
The canonical SMILES for 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide is CCNC(=O)CNc1cccc(Br)c1COC.
What is the InChIKey of 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide?
The InChIKey is OZMVSGSDEYRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-14-12(16)7-15-11-6-4-5-10(13)9(11)8-17-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide?
2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide has a molecular weight of 301.18 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide is sourced from PubChem (CID 61166790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).