2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide

C12H14BrN3O3 — CID 62922079

IUPAC2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O3/c13-9-3-1-8(2-4-9)10(17)5-16(6-11(14)18)7-12(15)19/h1-4H,5-7H2,(H2,14,18)(H2,15,19)
InChIKeyQPOKOGIMXIGVDT-UHFFFAOYSA-N
MW328.17 g/mol
LogP-0.10
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide (PubChem CID 62922079) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
PubChem CID62922079
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide
SMILESNC(=O)CN(CC(N)=O)CC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O3/c13-9-3-1-8(2-4-9)10(17)5-16(6-11(14)18)7-12(15)19/h1-4H,5-7H2,(H2,14,18)(H2,15,19)
InChIKeyQPOKOGIMXIGVDT-UHFFFAOYSA-N
XLogP-0.10
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]amino]acetamide
CID 62923142
1-(4-bromophenyl)-2-[cyclopropyl(methyl)amino]ethanone
CID 43795016
1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
2-[[2-(4-methoxyphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035280
1-(4-bromophenyl)-2-phosphanylethanone;hydrobromide
CID 173013220
1-(4-bromophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892158
1-(4-bromophenyl)-2-(tribromo-λ4-tellanyl)ethanone
CID 134926841
1-(4-bromophenyl)-3-methylbut-3-en-1-one
CID 79177133
1-(4-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanone
CID 43794927
1-[4-(4-bromophenyl)phenyl]-2-hydroxyethanone
CID 123191704
2-(bromoamino)-1-(4-bromophenyl)ethanone
CID 86670861
2-bromo-1-[4-(4-bromophenoxy)phenyl]ethanone
CID 59341202

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide (CID 62922079) is 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide is NC(=O)CN(CC(N)=O)CC(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide?
The InChIKey is QPOKOGIMXIGVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c13-9-3-1-8(2-4-9)10(17)5-16(6-11(14)18)7-12(15)19/h1-4H,5-7H2,(H2,14,18)(H2,15,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide has a molecular weight of 328.17 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-(4-bromophenyl)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 62922079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).