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

C16H23BrN2O2 — CID 112995770

IUPAC2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
SMILESCCCN(CCC)C(=O)CNC(=O)Cc1ccccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-3-9-19(10-4-2)16(21)12-18-15(20)11-13-7-5-6-8-14(13)17/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyRXICMZQIJTYOEH-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.76
Rot. Bonds8

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

2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide (PubChem CID 112995770) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
PubChem CID112995770
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
SMILESCCCN(CCC)C(=O)CNC(=O)Cc1ccccc1Br
InChIInChI=1S/C16H23BrN2O2/c1-3-9-19(10-4-2)16(21)12-18-15(20)11-13-7-5-6-8-14(13)17/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyRXICMZQIJTYOEH-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

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Related Compounds

2-(2-bromophenyl)-N-[2-(diethylamino)-2-oxoethyl]acetamide
CID 112994741
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-(3-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995769
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-(2-bromophenyl)acetamide
CID 112992422
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
2-[3-(2-bromophenyl)propanoyl-propylamino]acetic acid
CID 119204843
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
N-[2-[2-hydroxyethyl(propyl)amino]-2-oxoethyl]benzamide
CID 60656778
2-[2-[[2-(diethylamino)-2-oxoethyl]amino]-2-oxoethyl]benzoic acid
CID 115923743
3-[(2-methylphenyl)methylamino]-N,N-dipropylpropanamide
CID 109019300

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide (CID 112995770) is 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide is CCCN(CCC)C(=O)CNC(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
The InChIKey is RXICMZQIJTYOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-9-19(10-4-2)16(21)12-18-15(20)11-13-7-5-6-8-14(13)17/h5-8H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide?
2-(2-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-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112995770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).