4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide

C22H23FN2O3 — CID 126446911

IUPAC4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1
InChIInChI=1S/C22H23FN2O3/c1-13(2)25-12-18(11-21(25)27)24-22(28)16-6-4-15(5-7-16)19-10-17(14(3)26)8-9-20(19)23/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyYDZQXKZXQZKERS-GOSISDBHSA-N
MW382.44 g/mol
LogP3.43
Rot. Bonds5

About 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide

4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 126446911) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID126446911
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1
InChIInChI=1S/C22H23FN2O3/c1-13(2)25-12-18(11-21(25)27)24-22(28)16-6-4-15(5-7-16)19-10-17(14(3)26)8-9-20(19)23/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)/t18-/m1/s1
InChIKeyYDZQXKZXQZKERS-GOSISDBHSA-N
XLogP3.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110746036
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-phenylbenzamide
CID 110736702
1-(3-chloro-4-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876969
1-(3-fluorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876998
2-methyl-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 110736656
1-[2-(2-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108877061
1-(3-chloro-4-methylphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876749
1-[2-(4-fluorophenyl)ethyl]-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876999
N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139002833
1-(3,5-dichlorophenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876978
(3S)-N-(4-acetylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1248305
N-[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methylbenzamide
CID 16822304

Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 126446911) is 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide is CC(=O)c1ccc(F)c(-c2ccc(C(=O)N[C@@H]3CC(=O)N(C(C)C)C3)cc2)c1.
What is the InChIKey of 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is YDZQXKZXQZKERS-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-13(2)25-12-18(11-21(25)27)24-22(28)16-6-4-15(5-7-16)19-10-17(14(3)26)8-9-20(19)23/h4-10,13,18H,11-12H2,1-3H3,(H,24,28)/t18-/m1/s1.
What are the key properties of 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide?
4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-2-fluorophenyl)-N-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 126446911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).