N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C18H16FN3O4 — CID 26623169

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16FN3O4/c1-21(10-16(23)20-13-8-6-12(19)7-9-13)17(24)11-22-14-4-2-3-5-15(14)26-18(22)25/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyYQQRPZPWMAZQSH-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 26623169) has the molecular formula C18H16FN3O4 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID26623169
Molecular FormulaC18H16FN3O4
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C18H16FN3O4/c1-21(10-16(23)20-13-8-6-12(19)7-9-13)17(24)11-22-14-4-2-3-5-15(14)26-18(22)25/h2-9H,10-11H2,1H3,(H,20,23)
InChIKeyYQQRPZPWMAZQSH-UHFFFAOYSA-N
XLogP1.83
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 26623169) is N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is YQQRPZPWMAZQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4/c1-21(10-16(23)20-13-8-6-12(19)7-9-13)17(24)11-22-14-4-2-3-5-15(14)26-18(22)25/h2-9H,10-11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 357.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 26623169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).