3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide

C16H15BrClNO2 — CID 107989693

IUPAC3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-8-14(18)13(17)9-11/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyDBFSYDJZZLMVRI-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.74
Rot. Bonds4

About 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide

3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (PubChem CID 107989693) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
PubChem CID107989693
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
SMILESCC(CO)(NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-8-14(18)13(17)9-11/h2-9,20H,10H2,1H3,(H,19,21)
InChIKeyDBFSYDJZZLMVRI-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944746
N-(1-bromo-2-phenylpropan-2-yl)-4-chloro-3-fluorobenzamide
CID 107994349
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059860
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
3-bromo-N-(1-bromo-3-methylpentan-3-yl)-4-chlorobenzamide
CID 106169560
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
3-bromo-4-chloro-N-[(1R)-1-phenylethyl]benzamide
CID 59803164
2,6-difluoro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105058990

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide (CID 107989693) is 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is CC(CO)(NC(=O)c1ccc(Cl)c(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
The InChIKey is DBFSYDJZZLMVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-16(10-20,12-5-3-2-4-6-12)19-15(21)11-7-8-14(18)13(17)9-11/h2-9,20H,10H2,1H3,(H,19,21).
What are the key properties of 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide?
3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide has a molecular weight of 368.66 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 107989693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).