2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

C13H14Br2N2O2 — CID 114370914

IUPAC2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18)
InChIKeySTPPCOOGTPBLLP-UHFFFAOYSA-N
MW390.08 g/mol
LogP2.56
Rot. Bonds4

About 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide

2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 114370914) has the molecular formula C13H14Br2N2O2 and a molecular weight of 390.08 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
PubChem CID114370914
Molecular FormulaC13H14Br2N2O2
Molecular Weight390.08 g/mol
Exact Mass387.94
IUPAC Name2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H14Br2N2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18)
InChIKeySTPPCOOGTPBLLP-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.08
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide 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

5-bromo-N-[2-(cyclopropylamino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 47113782
2-[(2,5-dibromobenzoyl)-methylamino]acetic acid
CID 114367825
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 107074114
2,5-dibromo-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 114374499
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 114372357
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(N-methylanilino)benzamide
CID 78883691
2,5-dibromo-N-(2-bromopropyl)-N-methylbenzamide
CID 114375651
2-bromo-5-fluoro-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43216100
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide (CID 114370914) is 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is CN(CC(=O)NC1CC1)C(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is STPPCOOGTPBLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2O2/c1-17(7-12(18)16-9-3-4-9)13(19)10-6-8(14)2-5-11(10)15/h2,5-6,9H,3-4,7H2,1H3,(H,16,18).
What are the key properties of 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide?
2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 390.08 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 114370914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).