2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide

C11H15BrN4O2 — CID 114278269

IUPAC2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CNc1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C11H15BrN4O2/c1-16(2)10(17)5-15-9-3-6(11(14)18)8(13)4-7(9)12/h3-4,15H,5,13H2,1-2H3,(H2,14,18)
InChIKeySHKQAAKQVILRNG-UHFFFAOYSA-N
MW315.17 g/mol
LogP0.63
Rot. Bonds4

About 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide

2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide (PubChem CID 114278269) has the molecular formula C11H15BrN4O2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
PubChem CID114278269
Molecular FormulaC11H15BrN4O2
Molecular Weight315.17 g/mol
Exact Mass314.04
IUPAC Name2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CNc1cc(C(N)=O)c(N)cc1Br
InChIInChI=1S/C11H15BrN4O2/c1-16(2)10(17)5-15-9-3-6(11(14)18)8(13)4-7(9)12/h3-4,15H,5,13H2,1-2H3,(H2,14,18)
InChIKeySHKQAAKQVILRNG-UHFFFAOYSA-N
XLogP0.63
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide 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

3-amino-4-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide
CID 43448478
2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
CID 114278337
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
2-(2-carbamothioyl-4-chloroanilino)-N,N-dimethylacetamide
CID 62493002
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
2-[(4-carbamothioyl-3-pyridinyl)amino]-N,N-dimethylacetamide
CID 114288182
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
2-amino-4-bromo-5-[2-(2-methoxyethoxy)ethylamino]benzoic acid
CID 114278303
methyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-2,4-difluorobenzoate
CID 78860654

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide (CID 114278269) is 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide is CN(C)C(=O)CNc1cc(C(N)=O)c(N)cc1Br.
What is the InChIKey of 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is SHKQAAKQVILRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4O2/c1-16(2)10(17)5-15-9-3-6(11(14)18)8(13)4-7(9)12/h3-4,15H,5,13H2,1-2H3,(H2,14,18).
What are the key properties of 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide?
2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 315.17 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-[[2-(dimethylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 114278269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).