2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide

C19H22BrNO4 — CID 150348428

IUPAC2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide
SMILESCOc1cc(Br)c(CC(CCCc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C19H22BrNO4/c1-25-18-11-16(20)14(10-17(18)23)9-13(19(21)24)4-2-3-12-5-7-15(22)8-6-12/h5-8,10-11,13,22-23H,2-4,9H2,1H3,(H2,21,24)
InChIKeyGTFHXMISXCHQHG-UHFFFAOYSA-N
MW408.29 g/mol
LogP3.54
Rot. Bonds8

About 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide

2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide (PubChem CID 150348428) has the molecular formula C19H22BrNO4 and a molecular weight of 408.29 g/mol. Its IUPAC name is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide
PubChem CID150348428
Molecular FormulaC19H22BrNO4
Molecular Weight408.29 g/mol
Exact Mass407.07
IUPAC Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide
SMILESCOc1cc(Br)c(CC(CCCc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C19H22BrNO4/c1-25-18-11-16(20)14(10-17(18)23)9-13(19(21)24)4-2-3-12-5-7-15(22)8-6-12/h5-8,10-11,13,22-23H,2-4,9H2,1H3,(H2,21,24)
InChIKeyGTFHXMISXCHQHG-UHFFFAOYSA-N
XLogP3.54
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide?
The IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide (CID 150348428) is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide.
What is the SMILES notation for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide?
The canonical SMILES for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide is COc1cc(Br)c(CC(CCCc2ccc(O)cc2)C(N)=O)cc1O.
What is the InChIKey of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide?
The InChIKey is GTFHXMISXCHQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO4/c1-25-18-11-16(20)14(10-17(18)23)9-13(19(21)24)4-2-3-12-5-7-15(22)8-6-12/h5-8,10-11,13,22-23H,2-4,9H2,1H3,(H2,21,24).
What are the key properties of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide?
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide has a molecular weight of 408.29 g/mol, XLogP of 3.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-5-(4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 150348428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).