N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide

C17H17FN2O3 — CID 27794645

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-20(17(22)14-8-3-4-9-15(14)23-2)11-16(21)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGBCKOAKKTHPZSV-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.55
Rot. Bonds5

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

N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide (PubChem CID 27794645) has the molecular formula C17H17FN2O3 and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
PubChem CID27794645
Molecular FormulaC17H17FN2O3
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide
SMILESCOc1ccccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H17FN2O3/c1-20(17(22)14-8-3-4-9-15(14)23-2)11-16(21)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyGBCKOAKKTHPZSV-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 42056084
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-iodo-N-methylbenzamide
CID 27794667
2-benzyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 24980231
3,5-difluoro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439130
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-methoxy-N-methyl-3-nitrobenzamide
CID 7719448
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
N-[2-(3-fluoroanilino)-2-oxoethyl]-4-(methoxymethyl)-N-methylbenzamide
CID 8621107
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 9439622
4-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 7719433
N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethylbenzamide
CID 7936791
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide (CID 27794645) is N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide is COc1ccccc1C(=O)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
The InChIKey is GBCKOAKKTHPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3/c1-20(17(22)14-8-3-4-9-15(14)23-2)11-16(21)19-13-7-5-6-12(18)10-13/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-2-methoxy-N-methylbenzamide has a molecular weight of 316.33 g/mol, XLogP of 2.55, 5 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]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 27794645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).