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

C18H20BrNO4 — CID 11003750

IUPAC2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide
SMILESCOc1cc(Br)c(CC(CCc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C18H20BrNO4/c1-24-17-10-15(19)13(9-16(17)22)8-12(18(20)23)5-2-11-3-6-14(21)7-4-11/h3-4,6-7,9-10,12,21-22H,2,5,8H2,1H3,(H2,20,23)
InChIKeyRUBQAYCUWHRKIZ-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.15
Rot. Bonds7

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

2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide (PubChem CID 11003750) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide.

Molecular Properties

Compound Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide
PubChem CID11003750
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide
SMILESCOc1cc(Br)c(CC(CCc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C18H20BrNO4/c1-24-17-10-15(19)13(9-16(17)22)8-12(18(20)23)5-2-11-3-6-14(21)7-4-11/h3-4,6-7,9-10,12,21-22H,2,5,8H2,1H3,(H2,20,23)
InChIKeyRUBQAYCUWHRKIZ-UHFFFAOYSA-N
XLogP3.15
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-[[2-[(4-hydroxyphenyl)methyl]phenyl]methyl]-2-methoxyphenol
CID 16638007
5-(2-aminobutyl)-4-bromo-2-methoxyphenol
CID 170888665
methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 135228474
2-[(4-hydroxy-3-methoxyphenyl)methyl]decanamide
CID 68625712
4-bromo-5-(hydroxymethyl)-2-methoxyphenol
CID 637415
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
5-bromo-4-(2-hydroxypropyl)-2-methoxyphenol
CID 117406460
1-(5-bromo-2-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)ethanone
CID 58913124
methyl formate;methyl 4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate
CID 144758132
4-[3-(3,4-dimethoxyphenyl)butyl]phenol
CID 91095418
2-[(2-methoxyphenyl)methyl]-4-phenylbutanoic acid
CID 79422266
2-amino-3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 19842140

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide?
The IUPAC name of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide (CID 11003750) is 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide.
What is the SMILES notation for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide?
The canonical SMILES for 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide is COc1cc(Br)c(CC(CCc2ccc(O)cc2)C(N)=O)cc1O.
What is the InChIKey of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide?
The InChIKey is RUBQAYCUWHRKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-24-17-10-15(19)13(9-16(17)22)8-12(18(20)23)5-2-11-3-6-14(21)7-4-11/h3-4,6-7,9-10,12,21-22H,2,5,8H2,1H3,(H2,20,23).
What are the key properties of 2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide?
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methyl]-4-(4-hydroxyphenyl)butanamide has a molecular weight of 394.27 g/mol, XLogP of 3.15, 7 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]-4-(4-hydroxyphenyl)butanamide is sourced from PubChem (CID 11003750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).