1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

C21H20F2N4O3 — CID 166214840

IUPAC1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NC1CC(=O)N(c2ccccc2F)C1)NC1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H20F2N4O3/c22-15-5-1-3-7-17(15)26-11-13(9-19(26)28)24-21(30)25-14-10-20(29)27(12-14)18-8-4-2-6-16(18)23/h1-8,13-14H,9-12H2,(H2,24,25,30)
InChIKeyDYLSYBFHRDBHCN-UHFFFAOYSA-N
MW414.41 g/mol
LogP2.17
Rot. Bonds4

About 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea

1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (PubChem CID 166214840) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
PubChem CID166214840
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC Name1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
SMILESO=C(NC1CC(=O)N(c2ccccc2F)C1)NC1CC(=O)N(c2ccccc2F)C1
InChIInChI=1S/C21H20F2N4O3/c22-15-5-1-3-7-17(15)26-11-13(9-19(26)28)24-21(30)25-14-10-20(29)27(12-14)18-8-4-2-6-16(18)23/h1-8,13-14H,9-12H2,(H2,24,25,30)
InChIKeyDYLSYBFHRDBHCN-UHFFFAOYSA-N
XLogP2.17
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(3R)-1-(2-fluorophenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 39710585
1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(2-fluorophenyl)urea
CID 7215893
2-fluoro-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546766
2-fluoro-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546765
N-[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-4-(tetrazol-1-ylmethyl)benzamide
CID 92626128
1-cyclopropyl-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]benzimidazole-5-carboxamide
CID 46976353
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
3-(4-chlorophenyl)-N-[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 46975669
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
4-(2-fluorophenyl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162501
N-(1-benzylpyrrolidin-3-yl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 55360345

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The IUPAC name of 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea (CID 166214840) is 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea.
What is the SMILES notation for 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The canonical SMILES for 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is O=C(NC1CC(=O)N(c2ccccc2F)C1)NC1CC(=O)N(c2ccccc2F)C1.
What is the InChIKey of 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
The InChIKey is DYLSYBFHRDBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c22-15-5-1-3-7-17(15)26-11-13(9-19(26)28)24-21(30)25-14-10-20(29)27(12-14)18-8-4-2-6-16(18)23/h1-8,13-14H,9-12H2,(H2,24,25,30).
What are the key properties of 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea?
1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea has a molecular weight of 414.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[1-(2-fluorophenyl)-5-oxopyrrolidin-3-yl]urea is sourced from PubChem (CID 166214840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).