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

C16H17BrN2O2 — CID 105057674

IUPAC3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1cc(N)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,18H2,1H3,(H,19,21)
InChIKeySIMXTTZHQMSEIH-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.67
Rot. Bonds4

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

3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (PubChem CID 105057674) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
PubChem CID105057674
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1cc(N)cc(Br)c1)c1ccccc1
InChIInChI=1S/C16H17BrN2O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,18H2,1H3,(H,19,21)
InChIKeySIMXTTZHQMSEIH-UHFFFAOYSA-N
XLogP2.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.67
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

3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 107989693
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
N-(1-bromo-2-phenylpropan-2-yl)-3,5-dimethylbenzamide
CID 105059975
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
1-(1-hydroxy-2-phenylpropan-2-yl)-3-propylurea
CID 115635344
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
2-amino-2-ethyl-N-(1-hydroxy-2-phenylpropan-2-yl)butanamide
CID 105058275
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (CID 105057674) is 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is CC(CO)(NC(=O)c1cc(N)cc(Br)c1)c1ccccc1.
What is the InChIKey of 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The InChIKey is SIMXTTZHQMSEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-13(17)9-14(18)8-11/h2-9,20H,10,18H2,1H3,(H,19,21).
What are the key properties of 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide has a molecular weight of 349.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 105057674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).