2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide

C12H17BrN2O — CID 80979820

IUPAC2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
SMILESCCc1cc(Br)ccc1NCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-4-9-7-10(13)5-6-11(9)14-8-12(16)15(2)3/h5-7,14H,4,8H2,1-3H3
InChIKeyGHHJHVUDTDGGOS-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.51
Rot. Bonds4

About 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide

2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide (PubChem CID 80979820) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
PubChem CID80979820
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
SMILESCCc1cc(Br)ccc1NCC(=O)N(C)C
InChIInChI=1S/C12H17BrN2O/c1-4-9-7-10(13)5-6-11(9)14-8-12(16)15(2)3/h5-7,14H,4,8H2,1-3H3
InChIKeyGHHJHVUDTDGGOS-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
4-bromo-2-ethyl-N-(2-phenylprop-2-enyl)aniline
CID 115328409
2-(4-bromoanilino)-N,N-dimethylacetamide
CID 28581140
N-(4-bromo-2-ethylphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525227
2-(4-bromo-2-ethylanilino)-N-cycloheptylacetamide
CID 81288537
4-bromo-2-ethyl-N-(2-methylpropyl)aniline
CID 81292281
4-bromo-2-ethyl-N-prop-2-ynylaniline
CID 80979330
4-bromo-N-butyl-2-ethylaniline
CID 81291753
3-(4-bromo-2-ethylphenyl)-1,1-diethylurea
CID 81003513
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
(2S)-3-(4-bromo-2-ethylanilino)propane-1,2-diol
CID 81292963

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide (CID 80979820) is 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide is CCc1cc(Br)ccc1NCC(=O)N(C)C.
What is the InChIKey of 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide?
The InChIKey is GHHJHVUDTDGGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-4-9-7-10(13)5-6-11(9)14-8-12(16)15(2)3/h5-7,14H,4,8H2,1-3H3.
What are the key properties of 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide?
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide has a molecular weight of 285.19 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 80979820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).