1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide

C22H23FN2O2 — CID 30875236

IUPAC1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1
InChIInChI=1S/C22H23FN2O2/c23-18-7-2-6-17(14-18)22(10-4-11-22)21(27)24-19-8-1-5-16(13-19)15-25-12-3-9-20(25)26/h1-2,5-8,13-14H,3-4,9-12,15H2,(H,24,27)
InChIKeyKEQGSVLQZCBAHW-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.01
Rot. Bonds5

About 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide

1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide (PubChem CID 30875236) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
PubChem CID30875236
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide
SMILESO=C1CCCN1Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1
InChIInChI=1S/C22H23FN2O2/c23-18-7-2-6-17(14-18)22(10-4-11-22)21(27)24-19-8-1-5-16(13-19)15-25-12-3-9-20(25)26/h1-2,5-8,13-14H,3-4,9-12,15H2,(H,24,27)
InChIKeyKEQGSVLQZCBAHW-UHFFFAOYSA-N
XLogP4.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 31779380
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(3-fluorophenyl)oxane-4-carboxamide
CID 86939769
3-(4-ethylphenyl)-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide
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1-[(4-fluorophenyl)methyl]-1-methyl-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614515
1-(3-fluorophenyl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]cyclopentane-1-carboxamide
CID 55882020
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661
N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]hexanamide
CID 37359459
N-[[3-(butanoylamino)phenyl]methyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 78885986
[2-formyl-4-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]boronic acid
CID 166430535
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 33307145

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide (CID 30875236) is 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide is O=C1CCCN1Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide?
The InChIKey is KEQGSVLQZCBAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-18-7-2-6-17(14-18)22(10-4-11-22)21(27)24-19-8-1-5-16(13-19)15-25-12-3-9-20(25)26/h1-2,5-8,13-14H,3-4,9-12,15H2,(H,24,27).
What are the key properties of 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide?
1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 30875236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).