4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide

C10H13BrN2O2 — CID 107220998

IUPAC4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyRYDJZKRFEHHDES-ZCFIWIBFSA-N
MW273.13 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide

4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 107220998) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID107220998
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyRYDJZKRFEHHDES-ZCFIWIBFSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
4-amino-3-bromo-N-(2,3,3-trimethylbutyl)benzamide
CID 83143162
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
4-amino-3-bromo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79362346
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
4-amino-3-bromo-N-(3-methoxypropyl)benzamide
CID 54850356

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide (CID 107220998) is 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is RYDJZKRFEHHDES-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-9(12)8(11)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 273.13 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 107220998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).