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

C16H17BrN2O2 — CID 63260701

IUPAC5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-6-12(18)9-14(15)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)
InChIKeyGGEVJTDHNQATCC-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.36
Rot. Bonds5

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

5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (PubChem CID 63260701) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
PubChem CID63260701
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
SMILESNc1ccc(Br)c(C(=O)NC(CO)Cc2ccccc2)c1
InChIInChI=1S/C16H17BrN2O2/c17-15-7-6-12(18)9-14(15)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)
InChIKeyGGEVJTDHNQATCC-UHFFFAOYSA-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

5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
2-amino-5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861126
5-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridine-3-carboxamide
CID 107861835
4-bromo-2-hydroxy-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 102673615
3-bromo-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylbenzamide
CID 102673913
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
4-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbenzamide
CID 115874287
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-chloro-2-fluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861450
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The IUPAC name of 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide (CID 63260701) is 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is Nc1ccc(Br)c(C(=O)NC(CO)Cc2ccccc2)c1.
What is the InChIKey of 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
The InChIKey is GGEVJTDHNQATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c17-15-7-6-12(18)9-14(15)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).
What are the key properties of 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide?
5-amino-2-bromo-N-(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 5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 63260701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).