N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide

C18H17ClN2O5 — CID 90623969

IUPACN'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-24-16(12-4-2-3-5-13(12)19)9-20-17(22)18(23)21-11-6-7-14-15(8-11)26-10-25-14/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNMYSXELCKYLSTP-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.51
Rot. Bonds5

About N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide

N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide (PubChem CID 90623969) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
PubChem CID90623969
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC NameN'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl
InChIInChI=1S/C18H17ClN2O5/c1-24-16(12-4-2-3-5-13(12)19)9-20-17(22)18(23)21-11-6-7-14-15(8-11)26-10-25-14/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyNMYSXELCKYLSTP-UHFFFAOYSA-N
XLogP2.51
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598239
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 90623967
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 90623997
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876253
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 99876254
1-(1,3-benzodioxol-5-yl)-3-[1-(2-chlorophenyl)ethyl]urea
CID 17182509
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90624004
N'-(1,3-benzodioxol-5-yl)-N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]oxamide
CID 71803739
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,5-dimethylphenyl)oxamide
CID 90623953
N'-(1,3-benzodioxol-5-yl)-N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 7192204
N'-(3,4-dimethoxyphenyl)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]oxamide
CID 90598246
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-(2,3-dimethylphenyl)oxamide
CID 90623949

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide?
The IUPAC name of N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide (CID 90623969) is N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide?
The canonical SMILES for N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide is COC(CNC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1Cl.
What is the InChIKey of N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide?
The InChIKey is NMYSXELCKYLSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-24-16(12-4-2-3-5-13(12)19)9-20-17(22)18(23)21-11-6-7-14-15(8-11)26-10-25-14/h2-8,16H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide?
N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide has a molecular weight of 376.80 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzodioxol-5-yl)-N-[2-(2-chlorophenyl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 90623969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).