3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide

C11H13BrN2O3 — CID 107362620

IUPAC3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-8-3-1-2-7(4-8)5-10(16)14-6-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16)
InChIKeyAVADXUNREWBASW-UHFFFAOYSA-N
MW301.14 g/mol
LogP-0.05
Rot. Bonds5

About 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide

3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide (PubChem CID 107362620) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
PubChem CID107362620
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C11H13BrN2O3/c12-8-3-1-2-7(4-8)5-10(16)14-6-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16)
InChIKeyAVADXUNREWBASW-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
N-(2-bromo-3-ethylpentyl)-2-(3-bromophenyl)acetamide
CID 106288072
2-(3-bromophenyl)acetamide
CID 11736027
N-(2-bromo-3-methoxypropyl)-2-(3-bromophenyl)acetamide
CID 114309938
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
N-(3-amino-2-hydroxy-3-oxopropyl)-2,4-dibromobenzamide
CID 106164860
2-(3-bromophenyl)-N-(4-chloro-2-ethylbutyl)acetamide
CID 114306423
N-[2-(2-bromoethyl)pentyl]-2-(3-bromophenyl)acetamide
CID 114145851
N-[[2-(bromomethyl)cyclohexyl]methyl]-2-(3-bromophenyl)acetamide
CID 114317384
N-[(1-aminocyclohexyl)methyl]-2-(3-bromophenyl)acetamide
CID 119404421

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide (CID 107362620) is 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide is NC(=O)C(O)CNC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide?
The InChIKey is AVADXUNREWBASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c12-8-3-1-2-7(4-8)5-10(16)14-6-9(15)11(13)17/h1-4,9,15H,5-6H2,(H2,13,17)(H,14,16).
What are the key properties of 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide?
3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide has a molecular weight of 301.14 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-bromophenyl)acetyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 107362620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).