N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

C18H19FN2O4 — CID 90623549

IUPACN'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)cc2)OC)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-5-3-4-12(10-15)16(25-2)11-20-17(22)18(23)21-14-8-6-13(19)7-9-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMKVOATLECGKUOF-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.28
Rot. Bonds6

About N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 90623549) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID90623549
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)cc2)OC)c1
InChIInChI=1S/C18H19FN2O4/c1-24-15-5-3-4-12(10-15)16(25-2)11-20-17(22)18(23)21-14-8-6-13(19)7-9-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyMKVOATLECGKUOF-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
2-(4-fluorophenoxy)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 90623316
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649
N'-(3-chloro-4-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methoxyethyl]oxamide
CID 90623188
N'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168553
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(3-methoxyphenyl)oxamide
CID 30632079
1-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90623654
1-[2-(3-fluorophenyl)-2-methoxyethyl]-3-(4-methylphenyl)urea
CID 90623223
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 62107638
N'-[2-(3-fluorophenyl)-2-methoxyethyl]-N-(2-methoxyethyl)oxamide
CID 90623137

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (CID 90623549) is N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(C(CNC(=O)C(=O)Nc2ccc(F)cc2)OC)c1.
What is the InChIKey of N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is MKVOATLECGKUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-24-15-5-3-4-12(10-15)16(25-2)11-20-17(22)18(23)21-14-8-6-13(19)7-9-14/h3-10,16H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 346.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 90623549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).