N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide

C19H21FN2O3 — CID 90623158

IUPACN'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-12-7-8-16(13(2)9-12)22-19(24)18(23)21-11-17(25-3)14-5-4-6-15(20)10-14/h4-10,17H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCDFBYIRRXPLKHG-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.88
Rot. Bonds5

About N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide

N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide (PubChem CID 90623158) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
PubChem CID90623158
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
SMILESCOC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1cccc(F)c1
InChIInChI=1S/C19H21FN2O3/c1-12-7-8-16(13(2)9-12)22-19(24)18(23)21-11-17(25-3)14-5-4-6-15(20)10-14/h4-10,17H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyCDFBYIRRXPLKHG-UHFFFAOYSA-N
XLogP2.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.88
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-(3-fluorophenyl)-2-methoxyethyl]-2,4-dimethylbenzamide
CID 90622908
N'-(2,4-dimethylphenyl)-N-(2-methoxy-2-thiophen-3-ylethyl)oxamide
CID 90584123
N'-(2-cyanophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 73168459
N'-(5-chloro-2-methoxyphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623201
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-methylpropanamide
CID 90622872
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-phenylurea
CID 90623219
N'-(2,4-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 7033220
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The IUPAC name of N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide (CID 90623158) is N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide.
What is the SMILES notation for N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The canonical SMILES for N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide is COC(CNC(=O)C(=O)Nc1ccc(C)cc1C)c1cccc(F)c1.
What is the InChIKey of N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
The InChIKey is CDFBYIRRXPLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-12-7-8-16(13(2)9-12)22-19(24)18(23)21-11-17(25-3)14-5-4-6-15(20)10-14/h4-10,17H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide?
N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide has a molecular weight of 344.39 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethylphenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide is sourced from PubChem (CID 90623158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).