N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide

C17H16FN3O4 — CID 17433816

IUPACN-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H16FN3O4/c1-25-12-8-6-11(7-9-12)20-17(24)16(23)19-10-15(22)21-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyVKTFCKXBRIMPDG-UHFFFAOYSA-N
MW345.33 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide

N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 17433816) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID17433816
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC NameN-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C17H16FN3O4/c1-25-12-8-6-11(7-9-12)20-17(24)16(23)19-10-15(22)21-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyVKTFCKXBRIMPDG-UHFFFAOYSA-N
XLogP1.53
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 2658345
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275
2-[(4-ethylphenyl)carbamoylamino]-N-(2-fluorophenyl)acetamide
CID 772170
N'-(4-methylphenyl)-N-[2-oxo-2-(2-phenoxyanilino)ethyl]oxamide
CID 17489902
N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
N'-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7292696
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
2-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9105475
1-(2-fluorophenyl)-3-[(4-methoxyphenyl)carbamothioylamino]thiourea
CID 8618338
N'-(2-fluorophenyl)-N-(4-phenoxyphenyl)propanediamide
CID 108954775
1-fluoro-2-methylbenzene;N-(4-methoxyphenyl)-2-sulfanylacetamide
CID 144540679
N-(3,5-dimethoxyphenyl)-2-(2-fluoroanilino)acetamide
CID 26417450

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide (CID 17433816) is N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCC(=O)Nc2ccccc2F)cc1.
What is the InChIKey of N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is VKTFCKXBRIMPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c1-25-12-8-6-11(7-9-12)20-17(24)16(23)19-10-15(22)21-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide?
N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 345.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoroanilino)-2-oxoethyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 17433816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).