2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H16Br2N2O2 — CID 113345159

IUPAC2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(14)7-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOYXWJYIXFAHTMC-UHFFFAOYSA-N
MW392.09 g/mol
LogP2.86
Rot. Bonds5

About 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 113345159) has the molecular formula C13H16Br2N2O2 and a molecular weight of 392.09 g/mol. Its IUPAC name is 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID113345159
Molecular FormulaC13H16Br2N2O2
Molecular Weight392.09 g/mol
Exact Mass389.96
IUPAC Name2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(14)7-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOYXWJYIXFAHTMC-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

2,5-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 114372816
2-bromo-4-chloro-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 113257280
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
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
5-bromo-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 112688688
2-fluoro-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 112696705
2,4-dibromo-N-(3-methyl-2-oxobutyl)benzamide
CID 104860776
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
2,4-dibromo-N-pent-3-ynylbenzamide
CID 104581244

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 113345159) is 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is OYXWJYIXFAHTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O2/c1-8(2)17-12(18)5-6-16-13(19)10-4-3-9(14)7-11(10)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
2,4-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 2,4-dibromo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 113345159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).