N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

C16H21ClN2O3 — CID 109399040

IUPACN-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCc1ccc(Cl)c(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)13(8-10)18-15(21)16(22)19(2)9-11-4-3-5-14(11)20/h6-8,11,14,20H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyHGLIVXWMBBUJEK-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.21
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide

N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (PubChem CID 109399040) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
PubChem CID109399040
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
SMILESCc1ccc(Cl)c(NC(=O)C(=O)N(C)CC2CCCC2O)c1
InChIInChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)13(8-10)18-15(21)16(22)19(2)9-11-4-3-5-14(11)20/h6-8,11,14,20H,3-5,9H2,1-2H3,(H,18,21)
InChIKeyHGLIVXWMBBUJEK-UHFFFAOYSA-N
XLogP2.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4,5-difluorophenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399026
N-(3-chloro-4-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109398989
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-methylphenyl)oxamide
CID 109399042
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-[2-(trifluoromethyl)phenyl]oxamide
CID 109399018
2-(aminomethyl)-N-(2-chloro-5-methylphenyl)cyclopentane-1-carboxamide
CID 113269199
N-(2,5-dichlorophenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398107
N-(3-ethylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide
CID 109399072
N-(2,5-dimethylphenyl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398482
N'-[(2-hydroxycyclopentyl)methyl]-N'-methyl-N-(3-propan-2-ylphenyl)oxamide
CID 109399008
N'-(2-chloro-5-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]oxamide
CID 111490935
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-[3-chloro-2-(dimethylamino)phenyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396977

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide (CID 109399040) is N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is Cc1ccc(Cl)c(NC(=O)C(=O)N(C)CC2CCCC2O)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
The InChIKey is HGLIVXWMBBUJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-10-6-7-12(17)13(8-10)18-15(21)16(22)19(2)9-11-4-3-5-14(11)20/h6-8,11,14,20H,3-5,9H2,1-2H3,(H,18,21).
What are the key properties of N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide?
N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide has a molecular weight of 324.81 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-N'-[(2-hydroxycyclopentyl)methyl]-N'-methyloxamide is sourced from PubChem (CID 109399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).