N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide

C18H19FN2O4 — CID 108510021

IUPACN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-11(12-4-9-15(24-2)16(10-12)25-3)20-17(22)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyPWOWJJRODRZJCS-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.66
Rot. Bonds5

About N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide

N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide (PubChem CID 108510021) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
PubChem CID108510021
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC NameN'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC
InChIInChI=1S/C18H19FN2O4/c1-11(12-4-9-15(24-2)16(10-12)25-3)20-17(22)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyPWOWJJRODRZJCS-UHFFFAOYSA-N
XLogP2.66
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.66
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-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-phenoxyphenyl)oxamide
CID 108510015
N'-[1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 71901746
N'-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-N-(4-methylphenyl)oxamide
CID 95166112
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-naphthalen-2-yloxamide
CID 108510137
(Z)-2-cyano-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluoroanilino)prop-2-enamide
CID 108847001
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-pyridin-3-yloxamide
CID 108510113
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504806
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-ethoxyphenyl)oxamide
CID 108510172
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(2-hydroxypropyl)oxamide
CID 108510076
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide (CID 108510021) is N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide is COc1ccc(C(C)NC(=O)C(=O)Nc2ccc(F)cc2)cc1OC.
What is the InChIKey of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide?
The InChIKey is PWOWJJRODRZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-11(12-4-9-15(24-2)16(10-12)25-3)20-17(22)18(23)21-14-7-5-13(19)6-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide?
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide has a molecular weight of 346.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 108510021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).