N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide

C20H26ClFN2O2 — CID 4581708

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C20H26ClFN2O2/c21-18-11-16(22)9-8-14(18)12-23-20(26)15-10-19(25)24(13-15)17-6-4-2-1-3-5-7-17/h8-9,11,15,17H,1-7,10,12-13H2,(H,23,26)
InChIKeyABUUJUHVCALKDU-UHFFFAOYSA-N
MW380.89 g/mol
LogP4.06
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 4581708) has the molecular formula C20H26ClFN2O2 and a molecular weight of 380.89 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide
PubChem CID4581708
Molecular FormulaC20H26ClFN2O2
Molecular Weight380.89 g/mol
Exact Mass380.17
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)C1CC(=O)N(C2CCCCCCC2)C1
InChIInChI=1S/C20H26ClFN2O2/c21-18-11-16(22)9-8-14(18)12-23-20(26)15-10-19(25)24(13-15)17-6-4-2-1-3-5-7-17/h8-9,11,15,17H,1-7,10,12-13H2,(H,23,26)
InChIKeyABUUJUHVCALKDU-UHFFFAOYSA-N
XLogP4.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide (CID 4581708) is N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide is O=C(NCc1ccc(F)cc1Cl)C1CC(=O)N(C2CCCCCCC2)C1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ABUUJUHVCALKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClFN2O2/c21-18-11-16(22)9-8-14(18)12-23-20(26)15-10-19(25)24(13-15)17-6-4-2-1-3-5-7-17/h8-9,11,15,17H,1-7,10,12-13H2,(H,23,26).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 380.89 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1-cyclooctyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4581708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).