N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide

C16H23BrN2O2 — CID 113052708

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1ccccc1Br)C(C)=O
InChIInChI=1S/C16H23BrN2O2/c1-4-12(2)19(13(3)20)10-9-18-16(21)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyNOPIQDAREWGCJP-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.75
Rot. Bonds7

About N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide (PubChem CID 113052708) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
PubChem CID113052708
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide
SMILESCCC(C)N(CCNC(=O)Cc1ccccc1Br)C(C)=O
InChIInChI=1S/C16H23BrN2O2/c1-4-12(2)19(13(3)20)10-9-18-16(21)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyNOPIQDAREWGCJP-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113052669
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113052697
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 113052674
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-bromophenyl)acetamide
CID 113052971
2-(2-bromophenyl)-N-[2-[methylsulfonyl(propyl)amino]ethyl]acetamide
CID 113064894
2-(2-bromophenyl)-N-pentylacetamide
CID 113098374
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-butan-2-yl-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052766
3-[acetyl(butan-2-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116141
3-[[2-(2-bromophenyl)acetyl]amino]propanoic acid
CID 115729925
N-[2-[acetyl(propan-2-yl)amino]ethyl]benzamide
CID 113051974

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide (CID 113052708) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide is CCC(C)N(CCNC(=O)Cc1ccccc1Br)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide?
The InChIKey is NOPIQDAREWGCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-4-12(2)19(13(3)20)10-9-18-16(21)11-14-7-5-6-8-15(14)17/h5-8,12H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide has a molecular weight of 355.28 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2-(2-bromophenyl)acetamide is sourced from PubChem (CID 113052708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).