3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

C27H28BrNO2 — CID 4267255

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C27H28BrNO2/c28-22-13-14-25(30)24(17-22)23(20-9-3-1-4-10-20)18-26(31)29-19-27(15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-14,17,23,30H,7-8,15-16,18-19H2,(H,29,31)
InChIKeyQWWXNEJLFHYGLL-UHFFFAOYSA-N
MW478.43 g/mol
LogP6.30
Rot. Bonds7

About 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide

3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide (PubChem CID 4267255) has the molecular formula C27H28BrNO2 and a molecular weight of 478.43 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
PubChem CID4267255
Molecular FormulaC27H28BrNO2
Molecular Weight478.43 g/mol
Exact Mass477.13
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C27H28BrNO2/c28-22-13-14-25(30)24(17-22)23(20-9-3-1-4-10-20)18-26(31)29-19-27(15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-14,17,23,30H,7-8,15-16,18-19H2,(H,29,31)
InChIKeyQWWXNEJLFHYGLL-UHFFFAOYSA-N
XLogP6.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.43
LogP ≤ 56.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide (CID 4267255) is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide is O=C(CC(c1ccccc1)c1cc(Br)ccc1O)NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
The InChIKey is QWWXNEJLFHYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28BrNO2/c28-22-13-14-25(30)24(17-22)23(20-9-3-1-4-10-20)18-26(31)29-19-27(15-7-8-16-27)21-11-5-2-6-12-21/h1-6,9-14,17,23,30H,7-8,15-16,18-19H2,(H,29,31).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide?
3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide has a molecular weight of 478.43 g/mol, XLogP of 6.30, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide is sourced from PubChem (CID 4267255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).