N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

C22H18FN3O4 — CID 167779097

IUPACN-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(F)ccc2O)C1=O
InChIInChI=1S/C22H18FN3O4/c1-22(15-7-6-13-4-2-3-5-14(13)10-15)20(29)26(21(30)25-22)12-19(28)24-17-11-16(23)8-9-18(17)27/h2-11,27H,12H2,1H3,(H,24,28)(H,25,30)
InChIKeyHNENIBTXRBOBNA-UHFFFAOYSA-N
MW407.40 g/mol
LogP3.09
Rot. Bonds4

About N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 167779097) has the molecular formula C22H18FN3O4 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID167779097
Molecular FormulaC22H18FN3O4
Molecular Weight407.40 g/mol
Exact Mass407.13
IUPAC NameN-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(F)ccc2O)C1=O
InChIInChI=1S/C22H18FN3O4/c1-22(15-7-6-13-4-2-3-5-14(13)10-15)20(29)26(21(30)25-22)12-19(28)24-17-11-16(23)8-9-18(17)27/h2-11,27H,12H2,1H3,(H,24,28)(H,25,30)
InChIKeyHNENIBTXRBOBNA-UHFFFAOYSA-N
XLogP3.09
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41183201
N-[(4-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546321
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-[2-(difluoromethylsulfanyl)phenyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 24592823
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-[(2-fluorophenyl)methyl]-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 18170358
N-(4-fluoro-2-methylphenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865016
N-(4-fluoro-2-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8865010
2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2371043
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 25436664
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16546410

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 167779097) is N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cc(F)ccc2O)C1=O.
What is the InChIKey of N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HNENIBTXRBOBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4/c1-22(15-7-6-13-4-2-3-5-14(13)10-15)20(29)26(21(30)25-22)12-19(28)24-17-11-16(23)8-9-18(17)27/h2-11,27H,12H2,1H3,(H,24,28)(H,25,30).
What are the key properties of N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 407.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-hydroxyphenyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 167779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).