N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide

C17H13FN2O3 — CID 99584775

IUPACN-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)Nc2cc(OC)ccc2F)c1
InChIInChI=1S/C17H13FN2O3/c1-3-11-5-4-6-12(9-11)19-16(21)17(22)20-15-10-13(23-2)7-8-14(15)18/h1,4-10H,2H3,(H,19,21)(H,20,22)
InChIKeyQNDGUDXHUYJPQC-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.39
Rot. Bonds3

About N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide

N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide (PubChem CID 99584775) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide
PubChem CID99584775
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide
SMILESC#Cc1cccc(NC(=O)C(=O)Nc2cc(OC)ccc2F)c1
InChIInChI=1S/C17H13FN2O3/c1-3-11-5-4-6-12(9-11)19-16(21)17(22)20-15-10-13(23-2)7-8-14(15)18/h1,4-10H,2H3,(H,19,21)(H,20,22)
InChIKeyQNDGUDXHUYJPQC-UHFFFAOYSA-N
XLogP2.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.39
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

N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 51337878
N'-(2,4-dimethoxyphenyl)-N-(3-methoxyphenyl)oxamide
CID 44998139
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
3-ethynyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43755503
N'-(2-chlorophenyl)-N-(3-methoxyphenyl)oxamide
CID 45000733
2-(3-ethynylanilino)-4-methoxybenzonitrile
CID 81299122
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
N-(3-ethynylphenyl)-5-fluoro-2-methoxybenzamide
CID 33229993
N-(3-ethynylphenyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 51330083
N-(3-ethynylphenyl)-N'-[2-(methylsulfinylmethyl)phenyl]oxamide
CID 119043976
1-N',2-N'-bis(2-fluoro-5-methoxyphenyl)ethanedihydrazide
CID 138619993
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide?
The IUPAC name of N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide (CID 99584775) is N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide.
What is the SMILES notation for N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide?
The canonical SMILES for N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide is C#Cc1cccc(NC(=O)C(=O)Nc2cc(OC)ccc2F)c1.
What is the InChIKey of N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide?
The InChIKey is QNDGUDXHUYJPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-3-11-5-4-6-12(9-11)19-16(21)17(22)20-15-10-13(23-2)7-8-14(15)18/h1,4-10H,2H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide?
N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide has a molecular weight of 312.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-N'-(2-fluoro-5-methoxyphenyl)oxamide is sourced from PubChem (CID 99584775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).