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

C11H15BrN2O2 — CID 115180792

IUPAC3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
SMILESNCC(O)C(=O)NCCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-9-3-1-2-8(6-9)4-5-14-11(16)10(15)7-13/h1-3,6,10,15H,4-5,7,13H2,(H,14,16)
InChIKeyFSEPBMDQGDCOCA-UHFFFAOYSA-N
MW287.16 g/mol
LogP0.43
Rot. Bonds5

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

3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide (PubChem CID 115180792) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
PubChem CID115180792
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide
SMILESNCC(O)C(=O)NCCc1cccc(Br)c1
InChIInChI=1S/C11H15BrN2O2/c12-9-3-1-2-8(6-9)4-5-14-11(16)10(15)7-13/h1-3,6,10,15H,4-5,7,13H2,(H,14,16)
InChIKeyFSEPBMDQGDCOCA-UHFFFAOYSA-N
XLogP0.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
N-[2-(3-bromophenyl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186719
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115180860
3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
(2R,3S)-2-[2-(3-bromophenyl)ethylcarbamoylamino]-N,3-dihydroxybutanamide
CID 88903963
(2S,3R)-2-[2-(3-bromophenyl)ethylcarbamoylamino]-N,3-dihydroxybutanamide
CID 44633280
1-[2-(3-bromophenyl)ethyl]-3-pentan-3-ylurea
CID 108888425
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
CID 115203423

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide (CID 115180792) is 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide is NCC(O)C(=O)NCCc1cccc(Br)c1.
What is the InChIKey of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide?
The InChIKey is FSEPBMDQGDCOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c12-9-3-1-2-8(6-9)4-5-14-11(16)10(15)7-13/h1-3,6,10,15H,4-5,7,13H2,(H,14,16).
What are the key properties of 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide?
3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide has a molecular weight of 287.16 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-bromophenyl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 115180792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).