2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide

C15H23BrN2O — CID 109006671

IUPAC2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C15H23BrN2O/c1-4-8-18(9-5-2)15(19)11-17-14-7-6-13(16)10-12(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyUGTZDGHOEAFYDI-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.82
Rot. Bonds7

About 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide

2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide (PubChem CID 109006671) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
PubChem CID109006671
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CNc1ccc(Br)cc1C
InChIInChI=1S/C15H23BrN2O/c1-4-8-18(9-5-2)15(19)11-17-14-7-6-13(16)10-12(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3
InChIKeyUGTZDGHOEAFYDI-UHFFFAOYSA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55439320
2-(4-bromoanilino)-N,N-dipropylacetamide
CID 39453454
2-(4-bromo-2-methylanilino)-N-propan-2-ylacetamide
CID 28572367
N,N-dipropyl-2-(2,3,4-trifluoroanilino)acetamide
CID 109006692
4-bromo-N-ethyl-2-methylaniline
CID 23053407
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
2-(4-bromo-2-methylanilino)-N-(2-bromo-4-methylphenyl)acetamide
CID 9106742
2-[acetyl(pentyl)amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 113166813
2-(4-bromo-2-methylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106775
1-(azepan-1-yl)-2-(4-bromo-2-methylanilino)ethanone
CID 28572456
2-(4-bromo-2-methylanilino)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 26530759

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide (CID 109006671) is 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CNc1ccc(Br)cc1C.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide?
The InChIKey is UGTZDGHOEAFYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-8-18(9-5-2)15(19)11-17-14-7-6-13(16)10-12(14)3/h6-7,10,17H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide?
2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide has a molecular weight of 327.27 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N,N-dipropylacetamide is sourced from PubChem (CID 109006671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).