N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

C15H17ClF2N2O3 — CID 109399026

IUPACN-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCN(CC1CCCC1O)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H17ClF2N2O3/c1-20(7-8-3-2-4-13(8)21)15(23)14(22)19-12-6-11(18)10(17)5-9(12)16/h5-6,8,13,21H,2-4,7H2,1H3,(H,19,22)
InChIKeySNAXOPHOVKOEMR-UHFFFAOYSA-N
MW346.76 g/mol
LogP2.18
Rot. Bonds3

About N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (PubChem CID 109399026) has the molecular formula C15H17ClF2N2O3 and a molecular weight of 346.76 g/mol. Its IUPAC name is N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
PubChem CID109399026
Molecular FormulaC15H17ClF2N2O3
Molecular Weight346.76 g/mol
Exact Mass346.09
IUPAC NameN-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCN(CC1CCCC1O)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H17ClF2N2O3/c1-20(7-8-3-2-4-13(8)21)15(23)14(22)19-12-6-11(18)10(17)5-9(12)16/h5-6,8,13,21H,2-4,7H2,1H3,(H,19,22)
InChIKeySNAXOPHOVKOEMR-UHFFFAOYSA-N
XLogP2.18
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.76
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399040
N-(3-chloro-4-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109398989
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
CID 109399008
N-(2,5-dichlorophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398107
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
N'-(2,4-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490962

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The IUPAC name of N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (CID 109399026) is N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The canonical SMILES for N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is CN(CC1CCCC1O)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The InChIKey is SNAXOPHOVKOEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2O3/c1-20(7-8-3-2-4-13(8)21)15(23)14(22)19-12-6-11(18)10(17)5-9(12)16/h5-6,8,13,21H,2-4,7H2,1H3,(H,19,22).
What are the key properties of N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide has a molecular weight of 346.76 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 109399026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).