N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide

C14H19BrN2O2 — CID 113062718

IUPACN-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(2)14(19)16-8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyIGSSKCGVJOIOBQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide

N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide (PubChem CID 113062718) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
PubChem CID113062718
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O2/c1-10(2)14(19)16-8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyIGSSKCGVJOIOBQ-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]benzoate
CID 113061873
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-(2-bromophenyl)-N-but-3-enylacetamide
CID 15062818
2-(N-acetyl-2-bromoanilino)-N-(3-methylbutyl)acetamide
CID 113177811
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
N-[2-(N-acetyl-2-bromoanilino)ethyl]-3-methoxybenzamide
CID 113062736
N-(2-bromophenyl)-N-[2-(butylsulfonylamino)ethyl]acetamide
CID 113062766
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
methyl 3-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-chlorobenzoate
CID 113062086
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide (CID 113062718) is N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)c1ccccc1Br.
What is the InChIKey of N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide?
The InChIKey is IGSSKCGVJOIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)14(19)16-8-9-17(11(3)18)13-7-5-4-6-12(13)15/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide?
N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide has a molecular weight of 327.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-bromoanilino)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113062718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).