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

C18H20BrNO4 — CID 15923518

IUPAC4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide
SMILESCOc1cc(Br)c(CCC(Cc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C18H20BrNO4/c1-24-17-10-15(19)12(9-16(17)22)4-5-13(18(20)23)8-11-2-6-14(21)7-3-11/h2-3,6-7,9-10,13,21-22H,4-5,8H2,1H3,(H2,20,23)
InChIKeyLMFQMQPAIHATEE-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.15
Rot. Bonds7

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

4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide (PubChem CID 15923518) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide
PubChem CID15923518
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide
SMILESCOc1cc(Br)c(CCC(Cc2ccc(O)cc2)C(N)=O)cc1O
InChIInChI=1S/C18H20BrNO4/c1-24-17-10-15(19)12(9-16(17)22)4-5-13(18(20)23)8-11-2-6-14(21)7-3-11/h2-3,6-7,9-10,13,21-22H,4-5,8H2,1H3,(H2,20,23)
InChIKeyLMFQMQPAIHATEE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide?
The IUPAC name of 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide (CID 15923518) is 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide is COc1cc(Br)c(CCC(Cc2ccc(O)cc2)C(N)=O)cc1O.
What is the InChIKey of 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide?
The InChIKey is LMFQMQPAIHATEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-24-17-10-15(19)12(9-16(17)22)4-5-13(18(20)23)8-11-2-6-14(21)7-3-11/h2-3,6-7,9-10,13,21-22H,4-5,8H2,1H3,(H2,20,23).
What are the key properties of 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide?
4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]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 4-(2-bromo-5-hydroxy-4-methoxyphenyl)-2-[(4-hydroxyphenyl)methyl]butanamide is sourced from PubChem (CID 15923518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).