N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C26H22F2N4O4 — CID 41197783

IUPACN-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESC[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C26H22F2N4O4/c1-26(17-11-12-19(27)20(28)13-17)24(35)32(25(36)31-26)15-22(33)30-21-10-6-5-9-18(21)23(34)29-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t26-/m1/s1
InChIKeyLIRMQEPRRXXADQ-AREMUKBSSA-N
MW492.48 g/mol
LogP3.30
Rot. Bonds7

About N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 41197783) has the molecular formula C26H22F2N4O4 and a molecular weight of 492.48 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
PubChem CID41197783
Molecular FormulaC26H22F2N4O4
Molecular Weight492.48 g/mol
Exact Mass492.16
IUPAC NameN-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESC[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C26H22F2N4O4/c1-26(17-11-12-19(27)20(28)13-17)24(35)32(25(36)31-26)15-22(33)30-21-10-6-5-9-18(21)23(34)29-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t26-/m1/s1
InChIKeyLIRMQEPRRXXADQ-AREMUKBSSA-N
XLogP3.30
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.30
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

2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 26009625
N-benzyl-2-[[2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41236353
N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41187564
2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55516274
N-(4-chlorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 55442567
N-(5-chloro-2-pyridinyl)-2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51935140
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 55435825
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
N-(2-acetylphenyl)-2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4040539
N-(4-chloro-2-fluorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580817
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
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 N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 41197783) is N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is LIRMQEPRRXXADQ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22F2N4O4/c1-26(17-11-12-19(27)20(28)13-17)24(35)32(25(36)31-26)15-22(33)30-21-10-6-5-9-18(21)23(34)29-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t26-/m1/s1.
What are the key properties of N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 492.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 41197783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).