N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide

C15H16FN3O5 — CID 56803489

IUPACN'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide
SMILESC#CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H16FN3O5/c1-4-5-17-13(20)8-18-14(21)15(22)19-10-7-12(24-3)11(23-2)6-9(10)16/h1,6-7H,5,8H2,2-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyRBZGLUWAMOJGKA-UHFFFAOYSA-N
MW337.31 g/mol
LogP-0.35
Rot. Bonds6

About N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide

N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide (PubChem CID 56803489) has the molecular formula C15H16FN3O5 and a molecular weight of 337.31 g/mol. Its IUPAC name is N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide
PubChem CID56803489
Molecular FormulaC15H16FN3O5
Molecular Weight337.31 g/mol
Exact Mass337.11
IUPAC NameN'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide
SMILESC#CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1F
InChIInChI=1S/C15H16FN3O5/c1-4-5-17-13(20)8-18-14(21)15(22)19-10-7-12(24-3)11(23-2)6-9(10)16/h1,6-7H,5,8H2,2-3H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyRBZGLUWAMOJGKA-UHFFFAOYSA-N
XLogP-0.35
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide?
The IUPAC name of N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide (CID 56803489) is N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide.
What is the SMILES notation for N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide?
The canonical SMILES for N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide is C#CCNC(=O)CNC(=O)C(=O)Nc1cc(OC)c(OC)cc1F.
What is the InChIKey of N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide?
The InChIKey is RBZGLUWAMOJGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O5/c1-4-5-17-13(20)8-18-14(21)15(22)19-10-7-12(24-3)11(23-2)6-9(10)16/h1,6-7H,5,8H2,2-3H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide?
N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide has a molecular weight of 337.31 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4,5-dimethoxyphenyl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]oxamide is sourced from PubChem (CID 56803489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).