N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide

C13H18BrNO2 — CID 79205047

IUPACN-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(16)7-8-13(17)15-10(2)11-5-3-4-6-12(11)14/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyONRQXIMLGLZZTF-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.79
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide

N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide (PubChem CID 79205047) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
PubChem CID79205047
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NC(C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO2/c1-9(16)7-8-13(17)15-10(2)11-5-3-4-6-12(11)14/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17)
InChIKeyONRQXIMLGLZZTF-UHFFFAOYSA-N
XLogP2.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
6-amino-N-[(1R)-1-(2-bromophenyl)ethyl]-4,4-dimethylhexanamide
CID 81383775
N-[(1R)-1-(2-bromophenyl)ethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9220099
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 47123169
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
N-[(1R)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenoxy)propanamide
CID 26004861
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide (CID 79205047) is N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide is CC(O)CCC(=O)NC(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide?
The InChIKey is ONRQXIMLGLZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-9(16)7-8-13(17)15-10(2)11-5-3-4-6-12(11)14/h3-6,9-10,16H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide?
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide has a molecular weight of 300.20 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide is sourced from PubChem (CID 79205047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).