2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide

C17H17FN2O3 — CID 9165878

IUPAC2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYVYYINHHUVDSMM-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.88
Rot. Bonds6

About 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (PubChem CID 9165878) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
PubChem CID9165878
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O3/c1-23-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyYVYYINHHUVDSMM-UHFFFAOYSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide
CID 48502002
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3-methylbenzamide
CID 122144197
2-fluoro-N-[2-oxo-2-[[4-(propan-2-yloxymethyl)phenyl]methylamino]ethyl]benzamide
CID 55869935
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3221014
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
2-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111265662

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide (CID 9165878) is 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is COc1ccc(CNC(=O)CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
The InChIKey is YVYYINHHUVDSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-23-13-8-6-12(7-9-13)10-19-16(21)11-20-17(22)14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide has a molecular weight of 316.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9165878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).