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

C10H13BrN2O2 — CID 107211110

IUPAC3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXNFXKAVAKDAASE-ZCFIWIBFSA-N
MW273.13 g/mol
LogP1.14
Rot. Bonds3

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

3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 107211110) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID107211110
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1ccc(Br)c(N)c1
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXNFXKAVAKDAASE-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
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
3-bromo-N-[(2R)-2-hydroxypropyl]-4-methoxybenzamide
CID 83031955
3-amino-4-bromo-N-(7-methyloctyl)benzamide
CID 107813039
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211065
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3,4-dihydroxy-N-(2-hydroxypropyl)benzamide
CID 103955565
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide (CID 107211110) is 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1ccc(Br)c(N)c1.
What is the InChIKey of 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is XNFXKAVAKDAASE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
3-amino-4-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 3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 107211110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).