N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide

C18H15FN2O3 — CID 99584902

IUPACN'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCF)c2)c1
InChIInChI=1S/C18H15FN2O3/c1-2-13-5-3-6-14(11-13)20-17(22)18(23)21-15-7-4-8-16(12-15)24-10-9-19/h1,3-8,11-12H,9-10H2,(H,20,22)(H,21,23)
InChIKeyHIYBRLRMJDJMEK-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.59
Rot. Bonds5

About N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide

N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide (PubChem CID 99584902) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide.

Molecular Properties

Compound NameN'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide
PubChem CID99584902
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCF)c2)c1
InChIInChI=1S/C18H15FN2O3/c1-2-13-5-3-6-14(11-13)20-17(22)18(23)21-15-7-4-8-16(12-15)24-10-9-19/h1,3-8,11-12H,9-10H2,(H,20,22)(H,21,23)
InChIKeyHIYBRLRMJDJMEK-UHFFFAOYSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-(2-fluoroethoxy)phenyl]acetamide;hydrochloride
CID 119337987
N-[3-(2-fluoroethoxy)phenyl]carbamoyl chloride
CID 130015965
(2R)-2-amino-N-[3-(2-fluoroethoxy)phenyl]propanamide
CID 119337996
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991
N-(3-ethynylphenyl)-2-(phenoxymethyl)benzamide
CID 24676287
N-[3-(2-fluoroethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517303
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
2,2-diethyl-4-[3-(2-fluoroethoxy)anilino]-4-oxobutanoic acid
CID 119163768
3-ethynyl-N-(2-fluoroethyl)aniline
CID 80700246
3-amino-N-[3-(2-fluoroethoxy)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119808982
N-[3-(2-fluoroethoxy)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 126775656

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide?
The IUPAC name of N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide (CID 99584902) is N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide.
What is the SMILES notation for N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide?
The canonical SMILES for N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide is C#Cc1cccc(NC(=O)C(=O)Nc2cccc(OCCF)c2)c1.
What is the InChIKey of N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide?
The InChIKey is HIYBRLRMJDJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-13-5-3-6-14(11-13)20-17(22)18(23)21-15-7-4-8-16(12-15)24-10-9-19/h1,3-8,11-12H,9-10H2,(H,20,22)(H,21,23).
What are the key properties of N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide?
N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide has a molecular weight of 326.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethynylphenyl)-N-[3-(2-fluoroethoxy)phenyl]oxamide is sourced from PubChem (CID 99584902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).