N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

C14H16ClFN2O3 — CID 111490935

IUPACN'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-4-9(16)6-11(10)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)
InChIKeyMMRPUOJCOSQXTQ-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.69
Rot. Bonds3

About N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide

N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (PubChem CID 111490935) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
PubChem CID111490935
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC NameN'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
SMILESO=C(NCC1CCCC1O)C(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H16ClFN2O3/c15-10-5-4-9(16)6-11(10)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)
InChIKeyMMRPUOJCOSQXTQ-UHFFFAOYSA-N
XLogP1.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.69
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'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962
N'-(3,4-difluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490961
N-[(2-hydroxycyclopentyl)methyl]-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566950
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
2,4-difluoro-N-[(2-hydroxycyclohexyl)methyl]benzamide
CID 64928717
1-(3,5-dichlorophenyl)-3-[(2-hydroxycyclopentyl)methyl]urea
CID 103709987
3-(2-chloro-5-fluoroanilino)cyclohexane-1-carboxylic acid
CID 107527659
N-(2-chloro-5-fluorophenyl)-2-(cyclopropylamino)acetamide
CID 103843641
5-fluoro-N-[(2-hydroxycyclopentyl)methyl]-2-methoxybenzamide
CID 111464236
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The IUPAC name of N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide (CID 111490935) is N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide.
What is the SMILES notation for N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The canonical SMILES for N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is O=C(NCC1CCCC1O)C(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
The InChIKey is MMRPUOJCOSQXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-10-5-4-9(16)6-11(10)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'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide?
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide has a molecular weight of 314.74 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide is sourced from PubChem (CID 111490935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).