2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide

C16H23BrN2O2 — CID 112995769

IUPAC2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
SMILESCCCN(CCC)C(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-3-8-19(9-4-2)16(21)12-18-15(20)11-13-6-5-7-14(17)10-13/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyDVCCJOWAWRMLQG-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.76
Rot. Bonds8

About 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide (PubChem CID 112995769) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
PubChem CID112995769
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
SMILESCCCN(CCC)C(=O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C16H23BrN2O2/c1-3-8-19(9-4-2)16(21)12-18-15(20)11-13-6-5-7-14(17)10-13/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,18,20)
InChIKeyDVCCJOWAWRMLQG-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
N-(2-bromoethyl)-2-(3-bromophenyl)-N-butylacetamide
CID 80659385
2-[(3-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61414401
2-(3-bromophenyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 75419116
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
N'-[(3-bromophenyl)methyl]-N'-cyclopropyl-N,N-dipropylpentanediamide
CID 56539357

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide (CID 112995769) is 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide is CCCN(CCC)C(=O)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The InChIKey is DVCCJOWAWRMLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-8-19(9-4-2)16(21)12-18-15(20)11-13-6-5-7-14(17)10-13/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112995769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).