N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

C14H16F2N2O3 — CID 111490961

IUPACN'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21)
InChIKeyUCFYVDRIUKSOFW-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.18
Rot. Bonds3

About N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (PubChem CID 111490961) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
PubChem CID111490961
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC NameN'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21)
InChIKeyUCFYVDRIUKSOFW-UHFFFAOYSA-N
XLogP1.18
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chloro-3-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490898
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
N'-(4-butylphenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490941
5-(2,2-dimethylpropanoylamino)-2-fluoro-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 111471118
N-[(2-hydroxycyclopentyl)methyl]-N'-(3-thiophen-2-ylphenyl)oxamide
CID 111490932
1-(3,4-difluorophenyl)-3-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]urea
CID 122562368
2,3,6-trifluoro-N-[[(1R,2S)-2-hydroxycyclopentyl]methyl]benzamide
CID 99855973
N'-(3,4-difluorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987647
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566950
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
N'-(3,4-difluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887376
N'-(3-cyano-4-fluorophenyl)-N-[[(1S,3R)-3-methylcyclohexyl]methyl]oxamide
CID 95751988

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The IUPAC name of N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (CID 111490961) is N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The canonical SMILES for N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is O=C(NCC1CCCC1O)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The InChIKey is UCFYVDRIUKSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c15-10-5-4-9(6-11(10)16)18-14(21)13(20)17-7-8-2-1-3-12(8)19/h4-6,8,12,19H,1-3,7H2,(H,17,20)(H,18,21).
What are the key properties of N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide has a molecular weight of 298.29 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is sourced from PubChem (CID 111490961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).