3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide

C21H19FN8O4 — CID 166351866

IUPAC3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN2C(=O)NC(C)(c3cccc(C(N)=O)c3)C2=O)c1
InChIInChI=1S/C21H19FN8O4/c1-11-26-27-28-30(11)14-6-7-15(22)16(9-14)24-17(31)10-29-19(33)21(2,25-20(29)34)13-5-3-4-12(8-13)18(23)32/h3-9H,10H2,1-2H3,(H2,23,32)(H,24,31)(H,25,34)
InChIKeyJICPGKCEHVRXFJ-UHFFFAOYSA-N
MW466.43 g/mol
LogP0.61
Rot. Bonds6

About 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide

3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide (PubChem CID 166351866) has the molecular formula C21H19FN8O4 and a molecular weight of 466.43 g/mol. Its IUPAC name is 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide.

Molecular Properties

Compound Name3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
PubChem CID166351866
Molecular FormulaC21H19FN8O4
Molecular Weight466.43 g/mol
Exact Mass466.15
IUPAC Name3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide
SMILESCc1nnnn1-c1ccc(F)c(NC(=O)CN2C(=O)NC(C)(c3cccc(C(N)=O)c3)C2=O)c1
InChIInChI=1S/C21H19FN8O4/c1-11-26-27-28-30(11)14-6-7-15(22)16(9-14)24-17(31)10-29-19(33)21(2,25-20(29)34)13-5-3-4-12(8-13)18(23)32/h3-9H,10H2,1-2H3,(H2,23,32)(H,24,31)(H,25,34)
InChIKeyJICPGKCEHVRXFJ-UHFFFAOYSA-N
XLogP0.61
TPSA165.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.43
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 7240396
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
3-[[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 55631250
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2570395
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
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51249939
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
N-(5-chloro-2-fluorophenyl)-2-[4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092829
4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 7561970
methyl 3-[[2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-methylbenzoate
CID 46640931

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The IUPAC name of 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide (CID 166351866) is 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide.
What is the SMILES notation for 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The canonical SMILES for 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide is Cc1nnnn1-c1ccc(F)c(NC(=O)CN2C(=O)NC(C)(c3cccc(C(N)=O)c3)C2=O)c1.
What is the InChIKey of 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
The InChIKey is JICPGKCEHVRXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN8O4/c1-11-26-27-28-30(11)14-6-7-15(22)16(9-14)24-17(31)10-29-19(33)21(2,25-20(29)34)13-5-3-4-12(8-13)18(23)32/h3-9H,10H2,1-2H3,(H2,23,32)(H,24,31)(H,25,34).
What are the key properties of 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide?
3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide has a molecular weight of 466.43 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[2-fluoro-5-(5-methyltetrazol-1-yl)anilino]-2-oxoethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzamide is sourced from PubChem (CID 166351866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).