N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

C26H28FNO3 — CID 134249297

IUPACN-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(F)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H28FNO3/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)28-21-7-5-6-20(27)14-21/h5-12,14,16,29H,13,15H2,1-4H3,(H,28,30)
InChIKeySUBDYMUCRCKQLH-UHFFFAOYSA-N
MW421.51 g/mol
LogP5.88
Rot. Bonds7

About N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134249297) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134249297
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC NameN-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(F)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H28FNO3/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)28-21-7-5-6-20(27)14-21/h5-12,14,16,29H,13,15H2,1-4H3,(H,28,30)
InChIKeySUBDYMUCRCKQLH-UHFFFAOYSA-N
XLogP5.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.51
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 166559
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Cgs 26214
CID 133077
N-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-oxalamic acid ethyl ester
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CID 118796369
Benzyl 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoacetate
CID 9910728
2-[4-[4-Hydroxy-3-[3-(trifluoromethyl)phenyl]phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid
CID 44290489
(E)-3-[4-[8-fluoro-4-(4-hydroxyphenyl)-2,3-dihydro-1-benzoxepin-5-yl]phenyl]-N-phenylprop-2-enamide
CID 145968369
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
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CID 879266
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134249297) is N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)Nc2cccc(F)c2)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is SUBDYMUCRCKQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO3/c1-16(2)23-12-19(8-9-25(23)29)13-24-17(3)10-22(11-18(24)4)31-15-26(30)28-21-7-5-6-20(27)14-21/h5-12,14,16,29H,13,15H2,1-4H3,(H,28,30).
What are the key properties of N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 421.51 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134249297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).