N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide

C11H14BrNO2 — CID 115139262

IUPACN-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c12-10-3-1-9(2-4-10)5-7-13-11(15)6-8-14/h1-4,14H,5-8H2,(H,13,15)
InChIKeyXWVASJJBHISGDA-UHFFFAOYSA-N
MW272.14 g/mol
LogP1.49
Rot. Bonds5

About N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide

N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide (PubChem CID 115139262) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
PubChem CID115139262
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO2/c12-10-3-1-9(2-4-10)5-7-13-11(15)6-8-14/h1-4,14H,5-8H2,(H,13,15)
InChIKeyXWVASJJBHISGDA-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-3-hydroxypropanamide
CID 115138976
N-[2-(4-bromophenyl)ethyl]-3-cyanopropanamide
CID 94701975
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
CID 115172450
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509
3-amino-N-[2-(4-bromophenyl)ethyl]butanamide;hydrochloride
CID 119709695
2-(4-bromophenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide
CID 112993255
4-bromo-N-[3-oxo-3-[2-(4-propan-2-ylphenyl)ethylamino]propyl]benzamide
CID 24683750
4-(4-bromophenyl)-4-oxo-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 27538363
N-[2-(4-bromophenyl)ethyl]-2,2-dimethylpropanamide
CID 4271588
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide (CID 115139262) is N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide is O=C(CCO)NCCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide?
The InChIKey is XWVASJJBHISGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c12-10-3-1-9(2-4-10)5-7-13-11(15)6-8-14/h1-4,14H,5-8H2,(H,13,15).
What are the key properties of N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide?
N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide has a molecular weight of 272.14 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 115139262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).