3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

C12H14Br2N2O2 — CID 103907452

IUPAC3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H14Br2N2O2/c1-3-15-11(17)7(2)16-12(18)8-4-9(13)6-10(14)5-8/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQOPVJNHNGZAQSV-UHFFFAOYSA-N
MW378.06 g/mol
LogP2.47
Rot. Bonds4

About 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide

3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 103907452) has the molecular formula C12H14Br2N2O2 and a molecular weight of 378.06 g/mol. Its IUPAC name is 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID103907452
Molecular FormulaC12H14Br2N2O2
Molecular Weight378.06 g/mol
Exact Mass375.94
IUPAC Name3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C12H14Br2N2O2/c1-3-15-11(17)7(2)16-12(18)8-4-9(13)6-10(14)5-8/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyQOPVJNHNGZAQSV-UHFFFAOYSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
5-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 8750450
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
6-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 115283084
3-amino-5-bromo-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 107872241
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 103909357
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 103907452) is 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)C(C)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is QOPVJNHNGZAQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O2/c1-3-15-11(17)7(2)16-12(18)8-4-9(13)6-10(14)5-8/h4-7H,3H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide?
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 378.06 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 103907452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).