1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide

C20H20ClFN2O2 — CID 71495829

IUPAC1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCOc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C20H20ClFN2O2/c21-16-12-13(22)5-6-15(16)20(8-1-2-9-20)19(25)24-17-7-11-26-18-14(17)4-3-10-23-18/h3-6,10,12,17H,1-2,7-9,11H2,(H,24,25)
InChIKeyOWOMBSIPNSTXAD-UHFFFAOYSA-N
MW374.84 g/mol
LogP4.33
Rot. Bonds3

About 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide

1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide (PubChem CID 71495829) has the molecular formula C20H20ClFN2O2 and a molecular weight of 374.84 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide
PubChem CID71495829
Molecular FormulaC20H20ClFN2O2
Molecular Weight374.84 g/mol
Exact Mass374.12
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide
SMILESO=C(NC1CCOc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1
InChIInChI=1S/C20H20ClFN2O2/c21-16-12-13(22)5-6-15(16)20(8-1-2-9-20)19(25)24-17-7-11-26-18-14(17)4-3-10-23-18/h3-6,10,12,17H,1-2,7-9,11H2,(H,24,25)
InChIKeyOWOMBSIPNSTXAD-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide (CID 71495829) is 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide is O=C(NC1CCOc2ncccc21)C1(c2ccc(F)cc2Cl)CCCC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide?
The InChIKey is OWOMBSIPNSTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O2/c21-16-12-13(22)5-6-15(16)20(8-1-2-9-20)19(25)24-17-7-11-26-18-14(17)4-3-10-23-18/h3-6,10,12,17H,1-2,7-9,11H2,(H,24,25).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide?
1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide has a molecular weight of 374.84 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 71495829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).