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

C12H16BrNO2 — CID 79204955

IUPACN-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
SMILESCC(NC(=O)CCCO)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(14-12(16)7-4-8-15)10-5-2-3-6-11(10)13/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyOSMBCRNEVYZFKH-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.40
Rot. Bonds5

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

N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide (PubChem CID 79204955) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
PubChem CID79204955
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
SMILESCC(NC(=O)CCCO)c1ccccc1Br
InChIInChI=1S/C12H16BrNO2/c1-9(14-12(16)7-4-8-15)10-5-2-3-6-11(10)13/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16)
InChIKeyOSMBCRNEVYZFKH-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
N-[(1S)-1-(2-bromophenyl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 8759838
tert-butyl N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]carbamate
CID 51217500
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
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-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide (CID 79204955) is N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide is CC(NC(=O)CCCO)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide?
The InChIKey is OSMBCRNEVYZFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(14-12(16)7-4-8-15)10-5-2-3-6-11(10)13/h2-3,5-6,9,15H,4,7-8H2,1H3,(H,14,16).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide?
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide has a molecular weight of 286.17 g/mol, XLogP of 2.40, 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-hydroxybutanamide is sourced from PubChem (CID 79204955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).