2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide

C13H17BrN2O — CID 54956732

IUPAC2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
SMILESCc1ccc(NCC(=O)N(C)C2CC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O/c1-9-3-6-12(11(14)7-9)15-8-13(17)16(2)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3
InChIKeyLNJZDTFEHMRWKC-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.79
Rot. Bonds4

About 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide

2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide (PubChem CID 54956732) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
PubChem CID54956732
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
SMILESCc1ccc(NCC(=O)N(C)C2CC2)c(Br)c1
InChIInChI=1S/C13H17BrN2O/c1-9-3-6-12(11(14)7-9)15-8-13(17)16(2)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3
InChIKeyLNJZDTFEHMRWKC-UHFFFAOYSA-N
XLogP2.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
CID 54957038
2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 55137262
2-(2-bromo-4-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 32906515
2-(2-bromo-4-iodoanilino)-N-cyclopropyl-N-ethylacetamide
CID 113251331
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
CID 33163268
N-cyclopropyl-2-(ethylamino)-N,5-dimethylbenzamide
CID 62508986
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
N-cyclopropyl-2-(3-ethyl-4-methylanilino)-N-methylacetamide
CID 113355949
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide (CID 54956732) is 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide is Cc1ccc(NCC(=O)N(C)C2CC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
The InChIKey is LNJZDTFEHMRWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-3-6-12(11(14)7-9)15-8-13(17)16(2)10-4-5-10/h3,6-7,10,15H,4-5,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide?
2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide has a molecular weight of 297.20 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 54956732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).