2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide

C11H15BrN2O — CID 43806025

IUPAC2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(Br)cc1NCC(=O)N(C)C
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-9(12)6-10(8)13-7-11(15)14(2)3/h4-6,13H,7H2,1-3H3
InChIKeyMCJWZMPCCTUGSY-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.26
Rot. Bonds3

About 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide

2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide (PubChem CID 43806025) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
PubChem CID43806025
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
SMILESCc1ccc(Br)cc1NCC(=O)N(C)C
InChIInChI=1S/C11H15BrN2O/c1-8-4-5-9(12)6-10(8)13-7-11(15)14(2)3/h4-6,13H,7H2,1-3H3
InChIKeyMCJWZMPCCTUGSY-UHFFFAOYSA-N
XLogP2.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-bromo-2-methylanilino)-N,N-dimethylpropanamide
CID 60961459
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
ethyl 2-(5-bromo-2-methylanilino)acetate
CID 43806067
methyl 2-(5-bromo-2-methylanilino)acetate
CID 43806066
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 119132968
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
3-(5-bromo-2-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643996
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
CID 109006671
3-(2,4-dibromoanilino)-N,N-dimethylpropanamide
CID 61473010
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
2-(4-cyano-2-methylanilino)-N,N-dimethylacetamide
CID 60929299

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide (CID 43806025) is 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide is Cc1ccc(Br)cc1NCC(=O)N(C)C.
What is the InChIKey of 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide?
The InChIKey is MCJWZMPCCTUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-8-4-5-9(12)6-10(8)13-7-11(15)14(2)3/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide?
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide has a molecular weight of 271.16 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 43806025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).