1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide

C28H26INO3 — CID 3949960

IUPAC1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(I)c4ccccc4c3O)cc2)cc1
InChIInChI=1S/C28H26INO3/c1-4-28(2,3)18-9-13-20(14-10-18)33-21-15-11-19(12-16-21)30-27(32)24-17-25(29)22-7-5-6-8-23(22)26(24)31/h5-17,31H,4H2,1-3H3,(H,30,32)
InChIKeySUTRXPHYKZXUGH-UHFFFAOYSA-N
MW551.42 g/mol
LogP7.88
Rot. Bonds6

About 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide

1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide (PubChem CID 3949960) has the molecular formula C28H26INO3 and a molecular weight of 551.42 g/mol. Its IUPAC name is 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
PubChem CID3949960
Molecular FormulaC28H26INO3
Molecular Weight551.42 g/mol
Exact Mass551.10
IUPAC Name1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
SMILESCCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(I)c4ccccc4c3O)cc2)cc1
InChIInChI=1S/C28H26INO3/c1-4-28(2,3)18-9-13-20(14-10-18)33-21-15-11-19(12-16-21)30-27(32)24-17-25(29)22-7-5-6-8-23(22)26(24)31/h5-17,31H,4H2,1-3H3,(H,30,32)
InChIKeySUTRXPHYKZXUGH-UHFFFAOYSA-N
XLogP7.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.42
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-1-hydroxy-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide
CID 3901259
[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]urea
CID 129255825
4-(4-chlorophenoxy)-2-hydroxy-3,5-diiodo-N-phenylbenzamide
CID 22763234
5-bromo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]furan-2-carboxamide
CID 2435744
N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 130284062
2-methyl-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]cyclopropane-1-carboxamide
CID 4868535
ethane;N-(4-ethoxyphenyl)-1-hydroxynaphthalene-2-carboxamide
CID 143289888
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
4-(4-aminophenoxy)-1-hydroxy-N-(4-octadecoxyphenyl)naphthalene-2-carboxamide
CID 43834944
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide (CID 3949960) is 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide is CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3cc(I)c4ccccc4c3O)cc2)cc1.
What is the InChIKey of 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
The InChIKey is SUTRXPHYKZXUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26INO3/c1-4-28(2,3)18-9-13-20(14-10-18)33-21-15-11-19(12-16-21)30-27(32)24-17-25(29)22-7-5-6-8-23(22)26(24)31/h5-17,31H,4H2,1-3H3,(H,30,32).
What are the key properties of 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide?
1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide has a molecular weight of 551.42 g/mol, XLogP of 7.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-iodo-N-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3949960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).