2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide

C15H22BrNO2 — CID 109468194

IUPAC2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)N(CC)CCO
InChIInChI=1S/C15H22BrNO2/c1-3-12(15(19)17(4-2)9-10-18)11-13-7-5-6-8-14(13)16/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyVICKRNXKAISCDI-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.86
Rot. Bonds7

About 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide

2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide (PubChem CID 109468194) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide
PubChem CID109468194
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide
SMILESCCC(Cc1ccccc1Br)C(=O)N(CC)CCO
InChIInChI=1S/C15H22BrNO2/c1-3-12(15(19)17(4-2)9-10-18)11-13-7-5-6-8-14(13)16/h5-8,12,18H,3-4,9-11H2,1-2H3
InChIKeyVICKRNXKAISCDI-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-bromophenyl)ethyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49132868
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
2-[(2-bromophenyl)methyl]-4-methylhexanoic acid
CID 63401905
N-[[2-(aminomethyl)phenyl]methyl]-N,2-diethylbutanamide
CID 54939690
2-[(2-bromophenyl)methyl]-3-ethoxypropanoic acid
CID 103984138
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide
CID 119996342
N-(3-amino-2-methylpropyl)-2-[(2-bromophenyl)methyl]butanamide;hydrochloride
CID 119996341
2-amino-N-[(2-bromophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 77144498
3-(aminomethyl)-1-(2-bromophenyl)pentan-2-one
CID 116575083
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
CID 102276029
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide (CID 109468194) is 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide is CCC(Cc1ccccc1Br)C(=O)N(CC)CCO.
What is the InChIKey of 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is VICKRNXKAISCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-12(15(19)17(4-2)9-10-18)11-13-7-5-6-8-14(13)16/h5-8,12,18H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide?
2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 328.25 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)butanamide is sourced from PubChem (CID 109468194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).