2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

C16H17BrN2O2 — CID 107861126

IUPAC2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1ccc(Br)cc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O2/c17-12-6-7-15(18)14(9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1
InChIKeyQTRGFOWPYYLLDR-CYBMUJFWSA-N
MW349.23 g/mol
LogP2.36
Rot. Bonds5

About 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide

2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (PubChem CID 107861126) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
PubChem CID107861126
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
SMILESNc1ccc(Br)cc1C(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C16H17BrN2O2/c17-12-6-7-15(18)14(9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1
InChIKeyQTRGFOWPYYLLDR-CYBMUJFWSA-N
XLogP2.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.36
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

4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673615
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
2,3-dihydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673829
N-(1-hydroxy-3-phenylpropan-2-yl)-2-iodobenzamide
CID 6709695
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
2-[(2-amino-5-bromobenzoyl)amino]-3-(4-chlorophenyl)propanoic acid
CID 18422774
3-amino-4-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860609
3-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-5-methylbenzamide
CID 104852694

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The IUPAC name of 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide (CID 107861126) is 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The canonical SMILES for 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is Nc1ccc(Br)cc1C(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
The InChIKey is QTRGFOWPYYLLDR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-12-6-7-15(18)14(9-12)16(21)19-13(10-20)8-11-4-2-1-3-5-11/h1-7,9,13,20H,8,10,18H2,(H,19,21)/t13-/m1/s1.
What are the key properties of 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide?
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide is sourced from PubChem (CID 107861126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).