4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

C22H22F2N4O3 — CID 5302557

IUPAC4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H22F2N4O3/c23-14-1-5-16(6-2-14)26-22(21(25)31)9-11-27(12-10-22)18-13-19(29)28(20(18)30)17-7-3-15(24)4-8-17/h1-8,18,26H,9-13H2,(H2,25,31)
InChIKeyNJKBXANSIAVEND-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.03
Rot. Bonds5

About 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 5302557) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID5302557
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C22H22F2N4O3/c23-14-1-5-16(6-2-14)26-22(21(25)31)9-11-27(12-10-22)18-13-19(29)28(20(18)30)17-7-3-15(24)4-8-17/h1-8,18,26H,9-13H2,(H2,25,31)
InChIKeyNJKBXANSIAVEND-UHFFFAOYSA-N
XLogP2.03
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluoroanilino)-1-[(3S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 27890713
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
(3R)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 41002477
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 17020092
1-(4-fluorophenyl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 3881670
(3R)-1-(4-fluorophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 692158
2-[4-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]-N-phenylacetamide
CID 5145620
1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 3719393
ethyl 4-[(3S)-3-[4-(4-fluoroanilino)piperidin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 27914302
(3R)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1035324
(3R)-1-(4-fluorophenyl)-3-[4-(1-methylsulfonylpiperidin-4-yl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 98307802
(3R)-3-[4-(4-fluoroanilino)piperidin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1258456

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 5302557) is 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is NJKBXANSIAVEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-14-1-5-16(6-2-14)26-22(21(25)31)9-11-27(12-10-22)18-13-19(29)28(20(18)30)17-7-3-15(24)4-8-17/h1-8,18,26H,9-13H2,(H2,25,31).
What are the key properties of 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-1-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 5302557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).