2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide

C18H20BrNO — CID 43017681

IUPAC2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)12-14-8-10-17(19)11-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21)
InChIKeyNETXIYBYSKQROJ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide

2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide (PubChem CID 43017681) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
PubChem CID43017681
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide
SMILESCCC(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)12-14-8-10-17(19)11-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21)
InChIKeyNETXIYBYSKQROJ-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
N-[2-oxo-2-(2-phenylbutylamino)ethyl]-2-phenylacetamide
CID 51252058
5-bromo-N-[2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl]furan-2-carboxamide
CID 27862886
[(1S)-2-[[2-(4-bromophenyl)acetyl]amino]-1-phenylethyl]-dimethylazanium
CID 2098274
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-[(2S)-2-phenylbutyl]propanamide
CID 39678132
5-bromo-N-[(2R)-2-phenylbutyl]furan-2-carboxamide
CID 26007657
3-amino-3-phenyl-N-(2-phenylbutyl)propanamide
CID 119949049
2-phenylbutylurea
CID 137320233
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide (CID 43017681) is 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide is CCC(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide?
The InChIKey is NETXIYBYSKQROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-2-15(16-6-4-3-5-7-16)13-20-18(21)12-14-8-10-17(19)11-9-14/h3-11,15H,2,12-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide?
2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-phenylbutyl)acetamide is sourced from PubChem (CID 43017681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).