3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide

C18H20BrNO2 — CID 2959216

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C18H20BrNO2/c1-12(2)20-18(22)11-15(13-6-4-3-5-7-13)16-10-14(19)8-9-17(16)21/h3-10,12,15,21H,11H2,1-2H3,(H,20,22)
InChIKeyAVXPNSQGAZKNTP-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.20
Rot. Bonds5

About 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide

3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide (PubChem CID 2959216) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide
PubChem CID2959216
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
InChIInChI=1S/C18H20BrNO2/c1-12(2)20-18(22)11-15(13-6-4-3-5-7-13)16-10-14(19)8-9-17(16)21/h3-10,12,15,21H,11H2,1-2H3,(H,20,22)
InChIKeyAVXPNSQGAZKNTP-UHFFFAOYSA-N
XLogP4.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.20
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-propan-2-ylpropanamide?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide (CID 2959216) is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide is CC(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide?
The InChIKey is AVXPNSQGAZKNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-12(2)20-18(22)11-15(13-6-4-3-5-7-13)16-10-14(19)8-9-17(16)21/h3-10,12,15,21H,11H2,1-2H3,(H,20,22).
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide?
3-(5-bromo-2-hydroxyphenyl)-3-phenyl-N-propan-2-ylpropanamide has a molecular weight of 362.27 g/mol, XLogP of 4.20, 5 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-propan-2-ylpropanamide is sourced from PubChem (CID 2959216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).