2-(2-bromo-5-methylanilino)-N-propylacetamide

C12H17BrN2O — CID 82714044

IUPAC2-(2-bromo-5-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-6-14-12(16)8-15-11-7-9(2)4-5-10(11)13/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyHSKPEXBPJYVTRD-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-bromo-5-methylanilino)-N-propylacetamide

2-(2-bromo-5-methylanilino)-N-propylacetamide (PubChem CID 82714044) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(2-bromo-5-methylanilino)-N-propylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-methylanilino)-N-propylacetamide
PubChem CID82714044
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-(2-bromo-5-methylanilino)-N-propylacetamide
SMILESCCCNC(=O)CNc1cc(C)ccc1Br
InChIInChI=1S/C12H17BrN2O/c1-3-6-14-12(16)8-15-11-7-9(2)4-5-10(11)13/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16)
InChIKeyHSKPEXBPJYVTRD-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-bromo-5-methylanilino)-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-bromo-5-methylanilino)-N-(2-methoxyethyl)acetamide
CID 82757718
2-(2-bromo-5-methylanilino)-N-(2-methylpropyl)acetamide
CID 82757462
2-(2-bromo-5-methylanilino)-N-(cyanomethyl)acetamide
CID 82713144
2-(2-bromo-5-methylanilino)-N-butan-2-ylacetamide
CID 82713327
2-(2,6-dibromo-4-methylanilino)-N-propylacetamide
CID 28991483
3-(2-bromo-4-methylanilino)-N-propylpropanamide
CID 109011445
2-(4-bromo-2,5-difluoroanilino)-N-propylacetamide
CID 103843113
N'-(2-bromo-4-methylphenyl)-N-propylpropanediamide
CID 108940742
N-(2-bromophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079697
2-(2,6-dibromoanilino)-N-propylacetamide
CID 107598911
N-(2-cyanoethyl)-2-(2,5-dimethylanilino)acetamide
CID 28585854
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methylanilino)-N-propylacetamide?
The IUPAC name of 2-(2-bromo-5-methylanilino)-N-propylacetamide (CID 82714044) is 2-(2-bromo-5-methylanilino)-N-propylacetamide.
What is the SMILES notation for 2-(2-bromo-5-methylanilino)-N-propylacetamide?
The canonical SMILES for 2-(2-bromo-5-methylanilino)-N-propylacetamide is CCCNC(=O)CNc1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-methylanilino)-N-propylacetamide?
The InChIKey is HSKPEXBPJYVTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-6-14-12(16)8-15-11-7-9(2)4-5-10(11)13/h4-5,7,15H,3,6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(2-bromo-5-methylanilino)-N-propylacetamide?
2-(2-bromo-5-methylanilino)-N-propylacetamide has a molecular weight of 285.18 g/mol, XLogP of 2.70, 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-propylacetamide is sourced from PubChem (CID 82714044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).