N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide

C19H20FNO3 — CID 91774273

IUPACN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)o1
InChIInChI=1S/C19H20FNO3/c1-13-10-16(22)11-17(24-13)18(23)21-12-19(8-2-3-9-19)14-4-6-15(20)7-5-14/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,23)
InChIKeyUJRIQOROOTXSHM-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.33
Rot. Bonds4

About N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide

N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 91774273) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID91774273
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)o1
InChIInChI=1S/C19H20FNO3/c1-13-10-16(22)11-17(24-13)18(23)21-12-19(8-2-3-9-19)14-4-6-15(20)7-5-14/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,23)
InChIKeyUJRIQOROOTXSHM-UHFFFAOYSA-N
XLogP3.33
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 122559279
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131924608
4-[(carbamoylamino)methyl]-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]benzamide
CID 47042246
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 55746120
5-bromo-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 55746088
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
CID 90648014
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]pyrazine-2-carboxamide
CID 47042253
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
3-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]benzamide
CID 119761185
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethylbenzamide
CID 42266052

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide (CID 91774273) is N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)o1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is UJRIQOROOTXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13-10-16(22)11-17(24-13)18(23)21-12-19(8-2-3-9-19)14-4-6-15(20)7-5-14/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 91774273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).