2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

C19H18ClFN2O2 — CID 45251905

IUPAC2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O2/c20-15-3-1-2-14(8-15)9-18(24)22-17-10-19(25)23(12-17)11-13-4-6-16(21)7-5-13/h1-8,17H,9-12H2,(H,22,24)
InChIKeyRQTSVZVZMXGZGT-UHFFFAOYSA-N
MW360.82 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide

2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (PubChem CID 45251905) has the molecular formula C19H18ClFN2O2 and a molecular weight of 360.82 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
PubChem CID45251905
Molecular FormulaC19H18ClFN2O2
Molecular Weight360.82 g/mol
Exact Mass360.10
IUPAC Name2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CC(=O)N(Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H18ClFN2O2/c20-15-3-1-2-14(8-15)9-18(24)22-17-10-19(25)23(12-17)11-13-4-6-16(21)7-5-13/h1-8,17H,9-12H2,(H,22,24)
InChIKeyRQTSVZVZMXGZGT-UHFFFAOYSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide (CID 45251905) is 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is O=C(Cc1cccc(Cl)c1)NC1CC(=O)N(Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
The InChIKey is RQTSVZVZMXGZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN2O2/c20-15-3-1-2-14(8-15)9-18(24)22-17-10-19(25)23(12-17)11-13-4-6-16(21)7-5-13/h1-8,17H,9-12H2,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide?
2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide has a molecular weight of 360.82 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 45251905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).