N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide

C21H22FN3O5 — CID 143528480

IUPACN-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide
SMILESCOC(C)C(C(=O)Nc1ccc(C)cc1F)N1C(=O)N[C@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C21H22FN3O5/c1-11-4-9-16(15(22)10-11)23-19(27)18(12(2)30-3)25-20(28)17(24-21(25)29)13-5-7-14(26)8-6-13/h4-10,12,17-18,26H,1-3H3,(H,23,27)(H,24,29)/t12?,17-,18?/m1/s1
InChIKeyXJKGHMFRKHDUBA-AFSSOGTRSA-N
MW415.42 g/mol
LogP2.47
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide

N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide (PubChem CID 143528480) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide
PubChem CID143528480
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide
SMILESCOC(C)C(C(=O)Nc1ccc(C)cc1F)N1C(=O)N[C@H](c2ccc(O)cc2)C1=O
InChIInChI=1S/C21H22FN3O5/c1-11-4-9-16(15(22)10-11)23-19(27)18(12(2)30-3)25-20(28)17(24-21(25)29)13-5-7-14(26)8-6-13/h4-10,12,17-18,26H,1-3H3,(H,23,27)(H,24,29)/t12?,17-,18?/m1/s1
InChIKeyXJKGHMFRKHDUBA-AFSSOGTRSA-N
XLogP2.47
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide (CID 143528480) is N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide is COC(C)C(C(=O)Nc1ccc(C)cc1F)N1C(=O)N[C@H](c2ccc(O)cc2)C1=O.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide?
The InChIKey is XJKGHMFRKHDUBA-AFSSOGTRSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-11-4-9-16(15(22)10-11)23-19(27)18(12(2)30-3)25-20(28)17(24-21(25)29)13-5-7-14(26)8-6-13/h4-10,12,17-18,26H,1-3H3,(H,23,27)(H,24,29)/t12?,17-,18?/m1/s1.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide?
N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide has a molecular weight of 415.42 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-1-yl]-3-methoxybutanamide is sourced from PubChem (CID 143528480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).