2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide

C15H21BrN2O2 — CID 60680295

IUPAC2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyJXZXRDPLUCYQCB-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.48
Rot. Bonds7

About 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide

2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide (PubChem CID 60680295) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
PubChem CID60680295
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyJXZXRDPLUCYQCB-UHFFFAOYSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]-N-ethylacetamide
CID 62037462
1-(4-bromophenyl)-2-[ethyl(furan-2-ylmethyl)amino]propan-1-one
CID 62036820
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310127
2-[[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310128
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
1-(4-bromophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]propan-1-one
CID 54946475
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]-N,N-dimethylacetamide
CID 60864172
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-methylamino]-N-cyclopropylacetamide
CID 60681642
2-[ethyl-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-N,N-dimethylacetamide
CID 62037090

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide (CID 60680295) is 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
The InChIKey is JXZXRDPLUCYQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-4-17-14(19)10-18(5-2)11(3)15(20)12-6-8-13(16)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide?
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide has a molecular weight of 341.25 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 60680295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).