N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

C18H23FN2O3 — CID 99588187

IUPACN'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(Nc1ccccc1F)C(=O)N(C[C@H]1CCCO1)C1CCCC1
InChIInChI=1S/C18H23FN2O3/c19-15-9-3-4-10-16(15)20-17(22)18(23)21(13-6-1-2-7-13)12-14-8-5-11-24-14/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyVNIMURIICVKDAN-CQSZACIVSA-N
MW334.39 g/mol
LogP2.71
Rot. Bonds4

About N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide

N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (PubChem CID 99588187) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
PubChem CID99588187
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC NameN'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide
SMILESO=C(Nc1ccccc1F)C(=O)N(C[C@H]1CCCO1)C1CCCC1
InChIInChI=1S/C18H23FN2O3/c19-15-9-3-4-10-16(15)20-17(22)18(23)21(13-6-1-2-7-13)12-14-8-5-11-24-14/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,20,22)/t14-/m1/s1
InChIKeyVNIMURIICVKDAN-CQSZACIVSA-N
XLogP2.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide (CID 99588187) is N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is O=C(Nc1ccccc1F)C(=O)N(C[C@H]1CCCO1)C1CCCC1.
What is the InChIKey of N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
The InChIKey is VNIMURIICVKDAN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-9-3-4-10-16(15)20-17(22)18(23)21(13-6-1-2-7-13)12-14-8-5-11-24-14/h3-4,9-10,13-14H,1-2,5-8,11-12H2,(H,20,22)/t14-/m1/s1.
What are the key properties of N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide?
N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide has a molecular weight of 334.39 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-(2-fluorophenyl)-N'-[[(2R)-oxolan-2-yl]methyl]oxamide is sourced from PubChem (CID 99588187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).