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

C10H13BrN2O2 — CID 107211065

IUPAC5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)8-4-7(12)2-3-9(8)11/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXMNXXTURYBCJCV-ZCFIWIBFSA-N
MW273.13 g/mol
LogP1.14
Rot. Bonds3

About 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide

5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 107211065) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID107211065
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)8-4-7(12)2-3-9(8)11/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1
InChIKeyXMNXXTURYBCJCV-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

5-amino-2-bromo-N-(2,3-dimethylbutyl)benzamide
CID 64568794
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
5-amino-2-bromo-N-(2,3-dimethoxypropyl)benzamide
CID 114098924
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-bromobenzamide
CID 114167042
2-amino-N-(2-hydroxypropyl)benzamide;hydrochloride
CID 142025240

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide (CID 107211065) is 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is XMNXXTURYBCJCV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6(14)5-13-10(15)8-4-7(12)2-3-9(8)11/h2-4,6,14H,5,12H2,1H3,(H,13,15)/t6-/m1/s1.
What are the key properties of 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide?
5-amino-2-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 5-amino-2-bromo-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 107211065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).