4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C19H16F2N4O4 — CID 7561970

IUPAC4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESC[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C19H16F2N4O4/c1-19(13-8-11(20)4-7-14(13)21)17(28)25(18(29)24-19)9-15(26)23-12-5-2-10(3-6-12)16(22)27/h2-8H,9H2,1H3,(H2,22,27)(H,23,26)(H,24,29)/t19-/m1/s1
InChIKeyDLMQELVUTVHVEF-LJQANCHMSA-N
MW402.36 g/mol
LogP1.47
Rot. Bonds5

About 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 7561970) has the molecular formula C19H16F2N4O4 and a molecular weight of 402.36 g/mol. Its IUPAC name is 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
PubChem CID7561970
Molecular FormulaC19H16F2N4O4
Molecular Weight402.36 g/mol
Exact Mass402.11
IUPAC Name4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESC[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O
InChIInChI=1S/C19H16F2N4O4/c1-19(13-8-11(20)4-7-14(13)21)17(28)25(18(29)24-19)9-15(26)23-12-5-2-10(3-6-12)16(22)27/h2-8H,9H2,1H3,(H2,22,27)(H,23,26)(H,24,29)/t19-/m1/s1
InChIKeyDLMQELVUTVHVEF-LJQANCHMSA-N
XLogP1.47
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetylphenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801295
N-(4-acetylphenyl)-2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801296
4-[[2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 30123684
N-[4-(diethylsulfamoyl)phenyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40814427
N-(3-cyanophenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7561950
2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 40985259
4-[[2-[(4S)-4-(4-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 40810147
2-[(4S)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7801292
methyl 2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 78643753
N-[(4-chlorophenyl)methyl]-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7801238
5-[[2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzene-1,3-dicarboxamide
CID 2570395
(5S)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-(2,5-difluorophenyl)-5-methylimidazolidine-2,4-dione
CID 41142691

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 7561970) is 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is C[C@]1(c2cc(F)ccc2F)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O.
What is the InChIKey of 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is DLMQELVUTVHVEF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H16F2N4O4/c1-19(13-8-11(20)4-7-14(13)21)17(28)25(18(29)24-19)9-15(26)23-12-5-2-10(3-6-12)16(22)27/h2-8H,9H2,1H3,(H2,22,27)(H,23,26)(H,24,29)/t19-/m1/s1.
What are the key properties of 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 402.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 7561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).