N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C21H19FN4O3 — CID 7640132

IUPACN-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19FN4O3/c1-12-6-7-14(22)9-17(12)24-19(27)11-26-20(28)18(25-21(26)29)8-13-10-23-16-5-3-2-4-15(13)16/h2-7,9-10,18,23H,8,11H2,1H3,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyZWWWUEJJHBBVFJ-SFHVURJKSA-N
MW394.41 g/mol
LogP2.72
Rot. Bonds5

About N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7640132) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7640132
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O
InChIInChI=1S/C21H19FN4O3/c1-12-6-7-14(22)9-17(12)24-19(27)11-26-20(28)18(25-21(26)29)8-13-10-23-16-5-3-2-4-15(13)16/h2-7,9-10,18,23H,8,11H2,1H3,(H,24,27)(H,25,29)/t18-/m0/s1
InChIKeyZWWWUEJJHBBVFJ-SFHVURJKSA-N
XLogP2.72
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51864114
N-(2,6-difluorophenyl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 9170327
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40810198
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027
N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42927220
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 2653207
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 3480729
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3933614
N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41147262
(5S)-3-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 40953381

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7640132) is N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is ZWWWUEJJHBBVFJ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-12-6-7-14(22)9-17(12)24-19(27)11-26-20(28)18(25-21(26)29)8-13-10-23-16-5-3-2-4-15(13)16/h2-7,9-10,18,23H,8,11H2,1H3,(H,24,27)(H,25,29)/t18-/m0/s1.
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 394.41 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7640132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).