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

C19H20FNO3 — CID 90648014

IUPACN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H20FNO3/c1-12-9-16(22)11-18(24-12)19(23)21-17-4-2-3-14(17)10-13-5-7-15(20)8-6-13/h5-9,11,14,17H,2-4,10H2,1H3,(H,21,23)/t14-,17-/m0/s1
InChIKeyOSXLYDINNIKOIG-YOEHRIQHSA-N
MW329.37 g/mol
LogP3.23
Rot. Bonds4

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

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 90648014) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
PubChem CID90648014
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC NameN-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1
InChIInChI=1S/C19H20FNO3/c1-12-9-16(22)11-18(24-12)19(23)21-17-4-2-3-14(17)10-13-5-7-15(20)8-6-13/h5-9,11,14,17H,2-4,10H2,1H3,(H,21,23)/t14-,17-/m0/s1
InChIKeyOSXLYDINNIKOIG-YOEHRIQHSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,6-dimethyl-4-oxopyridine-3-carboxamide
CID 118769991
1-ethyl-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-2-oxopyridine-4-carboxamide
CID 118762484
N-[2-(hydroxymethyl)cyclopentyl]-5-methylfuran-2-carboxamide
CID 103759065
2-amino-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 118773357
4-chloro-N-[2-[(4-fluorophenyl)methyl]cyclopentyl]-1,3-dimethylpyrazole-5-carboxamide
CID 156607773
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-6-methyl-4-oxopyran-2-carboxamide
CID 91774273
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]acetamide
CID 90653375
1-[2-[(4-fluorophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 81032819
5-fluoro-N-[2-(hydroxymethyl)cyclopentyl]-3-methyl-1-benzofuran-2-carboxamide
CID 103774296
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119602924
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylfuran-2-carboxamide
CID 51969450
N-(2-carbamothioylcyclopentyl)-5-methylfuran-2-carboxamide
CID 62956749

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide (CID 90648014) is N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1.
What is the InChIKey of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is OSXLYDINNIKOIG-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-9-16(22)11-18(24-12)19(23)21-17-4-2-3-14(17)10-13-5-7-15(20)8-6-13/h5-9,11,14,17H,2-4,10H2,1H3,(H,21,23)/t14-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide?
N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 329.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 90648014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).