2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H16Br2N2O2 — CID 114372816

IUPAC2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPSTUVZLFJCLUMI-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.86
Rot. Bonds5

About 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 114372816) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID114372816
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC Name2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyPSTUVZLFJCLUMI-UHFFFAOYSA-N
XLogP2.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113345159
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
2-bromo-5-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113221942
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113257280
2,5-dibromo-N-(4-hydroxypentyl)benzamide
CID 107300307
2-bromo-N-[3-[1-(4-bromophenyl)propan-2-ylamino]-3-oxopropyl]-5-fluorobenzamide
CID 55795726
2,5-dibromo-N-(7-methyloctyl)benzamide
CID 114371952
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
2,5-dibromo-N-[2-(ethylamino)ethyl]benzamide
CID 114374303
N-(3-aminopropyl)-2,5-dibromobenzamide
CID 114368344
2-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoylamino]butanoic acid
CID 119223499
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 114372816) is 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is PSTUVZLFJCLUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-7-9(14)3-4-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 392.09 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 114372816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).