2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide

C13H19BrN2O — CID 82757462

IUPAC2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Br)c(NCC(=O)NCC(C)C)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-16-13(17)8-15-12-6-10(3)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyPRNHGCBKUBRLJD-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.94
Rot. Bonds5

About 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide

2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide (PubChem CID 82757462) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
PubChem CID82757462
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
SMILESCc1ccc(Br)c(NCC(=O)NCC(C)C)c1
InChIInChI=1S/C13H19BrN2O/c1-9(2)7-16-13(17)8-15-12-6-10(3)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyPRNHGCBKUBRLJD-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144
2-(2-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-bromo-4-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 112704947
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2-(5-bromo-2-cyanoanilino)-N-(2-methylpropyl)acetamide
CID 114902151
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972
2-(2-ethylanilino)-N-(2-methylpropyl)acetamide
CID 28583341
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-(3-amino-2-methylanilino)-N-(2-methylpropyl)acetamide
CID 113404982

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide (CID 82757462) is 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide is Cc1ccc(Br)c(NCC(=O)NCC(C)C)c1.
What is the InChIKey of 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide?
The InChIKey is PRNHGCBKUBRLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9(2)7-16-13(17)8-15-12-6-10(3)4-5-11(12)14/h4-6,9,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide?
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 82757462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).