N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C16H14F4N4O4 — CID 2224929

IUPACN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14F4N4O4/c17-9-3-5-10(6-4-9)24-13(27)15(16(18,19)20,22-14(24)28)21-11(25)8-23-7-1-2-12(23)26/h3-6H,1-2,7-8H2,(H,21,25)(H,22,28)/t15-/m0/s1
InChIKeyPKXCHXJJLKFJKE-HNNXBMFYSA-N
MW402.30 g/mol
LogP0.88
Rot. Bonds4

About N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 2224929) has the molecular formula C16H14F4N4O4 and a molecular weight of 402.30 g/mol. Its IUPAC name is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID2224929
Molecular FormulaC16H14F4N4O4
Molecular Weight402.30 g/mol
Exact Mass402.10
IUPAC NameN-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H14F4N4O4/c17-9-3-5-10(6-4-9)24-13(27)15(16(18,19)20,22-14(24)28)21-11(25)8-23-7-1-2-12(23)26/h3-6H,1-2,7-8H2,(H,21,25)(H,22,28)/t15-/m0/s1
InChIKeyPKXCHXJJLKFJKE-HNNXBMFYSA-N
XLogP0.88
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2001470
N-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4275035
2-(4-fluorophenyl)-N'-[2-(2-oxoazocan-1-yl)acetyl]acetohydrazide
CID 55738531
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-(2-bromo-5-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 113255444
(E)-3-(4-fluorophenyl)-N'-[2-(2-oxoazepan-1-yl)acetyl]prop-2-enehydrazide
CID 9219034
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(2-oxoazocan-1-yl)acetamide
CID 55760969
N-[1-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 95853165
N-[1-(aminomethyl)cyclopentyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 63889573
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 62521635

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 2224929) is N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is O=C(CN1CCCC1=O)N[C@]1(C(F)(F)F)NC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is PKXCHXJJLKFJKE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14F4N4O4/c17-9-3-5-10(6-4-9)24-13(27)15(16(18,19)20,22-14(24)28)21-11(25)8-23-7-1-2-12(23)26/h3-6H,1-2,7-8H2,(H,21,25)(H,22,28)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 402.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 2224929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).