3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide

C10H13BrN2O2 — CID 115180320

IUPAC3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(O)CN
InChIInChI=1S/C10H13BrN2O2/c1-6-2-3-7(11)4-8(6)13-10(15)9(14)5-12/h2-4,9,14H,5,12H2,1H3,(H,13,15)
InChIKeyBDGSRBOHUGANLT-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.02
Rot. Bonds3

About 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide

3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide (PubChem CID 115180320) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
PubChem CID115180320
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide
SMILESCc1ccc(Br)cc1NC(=O)C(O)CN
InChIInChI=1S/C10H13BrN2O2/c1-6-2-3-7(11)4-8(6)13-10(15)9(14)5-12/h2-4,9,14H,5,12H2,1H3,(H,13,15)
InChIKeyBDGSRBOHUGANLT-UHFFFAOYSA-N
XLogP1.02
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-2-methoxyphenyl)-2-hydroxypropanamide
CID 115180249
2-amino-N-(5-bromo-2-methylphenyl)propanamide;hydrochloride
CID 119279910
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbutanamide
CID 43712521
2-amino-N-(5-bromo-2-methylphenyl)-4-methylpentanamide
CID 43712543
2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 76887238
(2R)-2-amino-N-(5-bromo-2-methylphenyl)-3,3-dimethylbutanamide
CID 113353346
(2S,3S)-2-amino-N-(5-bromo-2-methylphenyl)-3-methylpentanamide
CID 61178087
2-amino-N-(5-bromo-2-methylphenyl)hexanamide
CID 60854245
2-amino-N-(5-bromo-2-methylphenyl)-4-methylsulfonylbutanamide
CID 43712537
3-amino-N-(5-bromo-2-methylphenyl)-2,2-dimethylpropanamide
CID 115426300
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
3-[(2-aminoacetyl)amino]-N-(5-bromo-2-methylphenyl)propanamide
CID 119312307

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide?
The IUPAC name of 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide (CID 115180320) is 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide.
What is the SMILES notation for 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide?
The canonical SMILES for 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide is Cc1ccc(Br)cc1NC(=O)C(O)CN.
What is the InChIKey of 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide?
The InChIKey is BDGSRBOHUGANLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-2-3-7(11)4-8(6)13-10(15)9(14)5-12/h2-4,9,14H,5,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide?
3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide has a molecular weight of 273.13 g/mol, XLogP of 1.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-bromo-2-methylphenyl)-2-hydroxypropanamide is sourced from PubChem (CID 115180320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).