2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide

C14H19BrN2O2 — CID 60679933

IUPAC2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-7-16-14(19)10-17(2)9-13(18)11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,19)
InChIKeyFHPBYJOVUBDVQR-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.09
Rot. Bonds7

About 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide

2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide (PubChem CID 60679933) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
PubChem CID60679933
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)CC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-3-7-16-14(19)10-17(2)9-13(18)11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,19)
InChIKeyFHPBYJOVUBDVQR-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
1-(3-bromophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanone
CID 55256902
1-(3-bromophenyl)-2-(propylamino)ethanone
CID 82102333
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-[[2-(2-fluorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037419
3-iodo-N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 7972299
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
2-[[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790158
1-(3-bromophenyl)-2-[(3-chlorophenyl)methyl-methylamino]ethanone
CID 62051685
2-[(3-bromophenyl)sulfonyl-propylamino]-N-propylacetamide
CID 61060306

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide (CID 60679933) is 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)CC(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
The InChIKey is FHPBYJOVUBDVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-3-7-16-14(19)10-17(2)9-13(18)11-5-4-6-12(15)8-11/h4-6,8H,3,7,9-10H2,1-2H3,(H,16,19).
What are the key properties of 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide?
2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide has a molecular weight of 327.22 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-bromophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 60679933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).