N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide

C18H19FN2O3 — CID 8621107

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-17(22)20-16-5-3-4-15(19)10-16)18(23)14-8-6-13(7-9-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGSLSTLJZZDSGSF-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.68
Rot. Bonds6

About N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide (PubChem CID 8621107) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
PubChem CID8621107
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
SMILESCOCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O3/c1-21(11-17(22)20-16-5-3-4-15(19)10-16)18(23)14-8-6-13(7-9-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGSLSTLJZZDSGSF-UHFFFAOYSA-N
XLogP2.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
CID 27794645
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9439272
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
methyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]benzoate
CID 9418842
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231
N-[2-(3,5-difluoroanilino)-2-oxoethyl]-3-methoxy-N-methyl-4-phenylmethoxybenzamide
CID 86883563

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide (CID 8621107) is N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide is COCc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide?
The InChIKey is GSLSTLJZZDSGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-21(11-17(22)20-16-5-3-4-15(19)10-16)18(23)14-8-6-13(7-9-14)12-24-2/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide is sourced from PubChem (CID 8621107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).