N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide

C13H17BrN2O2 — CID 113000553

IUPACN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)C(C)C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-9(3)6-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGNOOLTPHIHZCNL-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.47
Rot. Bonds4

About N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide

N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide (PubChem CID 113000553) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
PubChem CID113000553
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC NameN-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)CNC(=O)C(C)C)c(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-9(3)6-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyGNOOLTPHIHZCNL-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 113000579
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 113000562
N'-(2-bromo-4-methylphenyl)-2-methylbutanediamide
CID 82124662
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665
(2S,3S)-2-[[2-(2-bromo-4-methylanilino)-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122099823
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113000560
N-(2-bromo-4-methylphenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 78760934
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
N-[2-(4-fluoro-2-methylanilino)-2-oxoethyl]-2-methylpropanamide
CID 50875807
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide (CID 113000553) is N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide is Cc1ccc(NC(=O)CNC(=O)C(C)C)c(Br)c1.
What is the InChIKey of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide?
The InChIKey is GNOOLTPHIHZCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-8(2)13(18)15-7-12(17)16-11-5-4-9(3)6-10(11)14/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide?
N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide has a molecular weight of 313.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 113000553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).