N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

C27H25FN4O4 — CID 41187564

IUPACN-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C27H25FN4O4/c1-2-27(19-12-14-20(28)15-13-19)25(35)32(26(36)31-27)17-23(33)30-22-11-7-6-10-21(22)24(34)29-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t27-/m0/s1
InChIKeyGYERMJMWVBARCC-MHZLTWQESA-N
MW488.52 g/mol
LogP3.55
Rot. Bonds8

About N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide

N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (PubChem CID 41187564) has the molecular formula C27H25FN4O4 and a molecular weight of 488.52 g/mol. Its IUPAC name is N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
PubChem CID41187564
Molecular FormulaC27H25FN4O4
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC NameN-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
SMILESCC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C27H25FN4O4/c1-2-27(19-12-14-20(28)15-13-19)25(35)32(26(36)31-27)17-23(33)30-22-11-7-6-10-21(22)24(34)29-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t27-/m0/s1
InChIKeyGYERMJMWVBARCC-MHZLTWQESA-N
XLogP3.55
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 53.55
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-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4810291
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 2582848
N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41197783
N-cyclopropyl-2-[[2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]benzamide
CID 26524720
N-[2-[(2R)-butan-2-yl]phenyl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7181349
N-benzyl-2-[(4R)-4-ethyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 26010815
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-phenylmethoxypropyl)acetamide
CID 24629442
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 2582755
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 7802349
2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55516274
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide (CID 41187564) is N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
The InChIKey is GYERMJMWVBARCC-MHZLTWQESA-N. The full InChI is InChI=1S/C27H25FN4O4/c1-2-27(19-12-14-20(28)15-13-19)25(35)32(26(36)31-27)17-23(33)30-22-11-7-6-10-21(22)24(34)29-16-18-8-4-3-5-9-18/h3-15H,2,16-17H2,1H3,(H,29,34)(H,30,33)(H,31,36)/t27-/m0/s1.
What are the key properties of N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide?
N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide has a molecular weight of 488.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 41187564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).