2-(2,6-dibromoanilino)-N-propylacetamide

C11H14Br2N2O — CID 107598911

IUPAC2-(2,6-dibromoanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-6-14-10(16)7-15-11-8(12)4-3-5-9(11)13/h3-5,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyJYOAMOPSCFJJAE-UHFFFAOYSA-N
MW350.05 g/mol
LogP3.15
Rot. Bonds5

About 2-(2,6-dibromoanilino)-N-propylacetamide

2-(2,6-dibromoanilino)-N-propylacetamide (PubChem CID 107598911) has the molecular formula C11H14Br2N2O and a molecular weight of 350.05 g/mol. Its IUPAC name is 2-(2,6-dibromoanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,6-dibromoanilino)-N-propylacetamide
PubChem CID107598911
Molecular FormulaC11H14Br2N2O
Molecular Weight350.05 g/mol
Exact Mass347.95
IUPAC Name2-(2,6-dibromoanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1c(Br)cccc1Br
InChIInChI=1S/C11H14Br2N2O/c1-2-6-14-10(16)7-15-11-8(12)4-3-5-9(11)13/h3-5,15H,2,6-7H2,1H3,(H,14,16)
InChIKeyJYOAMOPSCFJJAE-UHFFFAOYSA-N
XLogP3.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dibromoanilino)-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
N-butyl-2-(2,6-dimethylanilino)acetamide
CID 54818393
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
2-[(2-bromophenyl)sulfonylamino]-N-propylacetamide
CID 18192043
2-(2-bromo-6-fluoroanilino)-N-(3-methylbutyl)acetamide
CID 113252866
2-(2-bromo-5-methylanilino)-N-propylacetamide
CID 82714044
2-[[1-(2-bromophenyl)cyclopropyl]amino]-N-propylacetamide
CID 75515851
2-[[6-(ethylamino)-2-pyridinyl]amino]-N-propylacetamide
CID 80787440
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
butyl 2-(2,6-dibromoanilino)acetate
CID 107598810
3-nitro-2-[[2-oxo-2-(propylamino)ethyl]amino]benzoic acid
CID 115932186
2-[(3-bromo-5-nitro-4-pyridinyl)amino]-N-propylacetamide
CID 103877884

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromoanilino)-N-propylacetamide?
The IUPAC name of 2-(2,6-dibromoanilino)-N-propylacetamide (CID 107598911) is 2-(2,6-dibromoanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2,6-dibromoanilino)-N-propylacetamide?
The canonical SMILES for 2-(2,6-dibromoanilino)-N-propylacetamide is CCCNC(=O)CNc1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromoanilino)-N-propylacetamide?
The InChIKey is JYOAMOPSCFJJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2N2O/c1-2-6-14-10(16)7-15-11-8(12)4-3-5-9(11)13/h3-5,15H,2,6-7H2,1H3,(H,14,16).
What are the key properties of 2-(2,6-dibromoanilino)-N-propylacetamide?
2-(2,6-dibromoanilino)-N-propylacetamide has a molecular weight of 350.05 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromoanilino)-N-propylacetamide is sourced from PubChem (CID 107598911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).