5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide

C21H23ClFN3O2 — CID 60567599

IUPAC5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)c1
InChIInChI=1S/C21H23ClFN3O2/c1-14(27)25-17-7-8-19(23)18(12-17)21(28)24-13-20(26-9-2-3-10-26)15-5-4-6-16(22)11-15/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyFEVLUGBUFWKJFY-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.00
Rot. Bonds6

About 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide

5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide (PubChem CID 60567599) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
PubChem CID60567599
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)c1
InChIInChI=1S/C21H23ClFN3O2/c1-14(27)25-17-7-8-19(23)18(12-17)21(28)24-13-20(26-9-2-3-10-26)15-5-4-6-16(22)11-15/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyFEVLUGBUFWKJFY-UHFFFAOYSA-N
XLogP4.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-fluoropyridine-2-carboxamide
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2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
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N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
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N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
5-chloro-2-fluoro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47031099
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
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N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55763588
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide (CID 60567599) is 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)NCC(c2cccc(Cl)c2)N2CCCC2)c1.
What is the InChIKey of 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide?
The InChIKey is FEVLUGBUFWKJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-14(27)25-17-7-8-19(23)18(12-17)21(28)24-13-20(26-9-2-3-10-26)15-5-4-6-16(22)11-15/h4-8,11-12,20H,2-3,9-10,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide?
5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide has a molecular weight of 403.89 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide is sourced from PubChem (CID 60567599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).