N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

C24H27FN6O4 — CID 30730046

IUPACN-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H27FN6O4/c1-24(17-5-3-2-4-6-17)22(34)31(23(35)27-24)28-21(33)16-30-13-11-29(12-14-30)15-20(32)26-19-9-7-18(25)8-10-19/h2-10H,11-16H2,1H3,(H,26,32)(H,27,35)(H,28,33)/t24-/m0/s1
InChIKeyWHABLHRBEQKKHD-DEOSSOPVSA-N
MW482.52 g/mol
LogP0.88
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (PubChem CID 30730046) has the molecular formula C24H27FN6O4 and a molecular weight of 482.52 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
PubChem CID30730046
Molecular FormulaC24H27FN6O4
Molecular Weight482.52 g/mol
Exact Mass482.21
IUPAC NameN-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
SMILESC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H27FN6O4/c1-24(17-5-3-2-4-6-17)22(34)31(23(35)27-24)28-21(33)16-30-13-11-29(12-14-30)15-20(32)26-19-9-7-18(25)8-10-19/h2-10H,11-16H2,1H3,(H,26,32)(H,27,35)(H,28,33)/t24-/m0/s1
InChIKeyWHABLHRBEQKKHD-DEOSSOPVSA-N
XLogP0.88
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenoxy)-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 17439522
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
2-(4-acetyl-4-phenylpiperidin-1-yl)-N-(4-fluorophenyl)acetamide
CID 42859146
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
N-(4-bromophenyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2580352
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 40972586
6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24565024
N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 24565232
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-3,3-diphenylpropanamide
CID 84861647
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 42997995

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide (CID 30730046) is N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
The InChIKey is WHABLHRBEQKKHD-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H27FN6O4/c1-24(17-5-3-2-4-6-17)22(34)31(23(35)27-24)28-21(33)16-30-13-11-29(12-14-30)15-20(32)26-19-9-7-18(25)8-10-19/h2-10H,11-16H2,1H3,(H,26,32)(H,27,35)(H,28,33)/t24-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide has a molecular weight of 482.52 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30730046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).