N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

C21H19F2N3O3 — CID 17497491

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H19F2N3O3/c1-26(13-19(27)25-15-6-4-5-14(22)11-15)21(28)10-9-20-24-12-18(29-20)16-7-2-3-8-17(16)23/h2-8,11-12H,9-10,13H2,1H3,(H,25,27)
InChIKeyZTZLUUOKEARQLH-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (PubChem CID 17497491) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
PubChem CID17497491
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2F)o1
InChIInChI=1S/C21H19F2N3O3/c1-26(13-19(27)25-15-6-4-5-14(22)11-15)21(28)10-9-20-24-12-18(29-20)16-7-2-3-8-17(16)23/h2-8,11-12H,9-10,13H2,1H3,(H,25,27)
InChIKeyZTZLUUOKEARQLH-UHFFFAOYSA-N
XLogP3.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide (CID 17497491) is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2F)o1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
The InChIKey is ZTZLUUOKEARQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-26(13-19(27)25-15-6-4-5-14(22)11-15)21(28)10-9-20-24-12-18(29-20)16-7-2-3-8-17(16)23/h2-8,11-12H,9-10,13H2,1H3,(H,25,27).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide has a molecular weight of 399.40 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 17497491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).