5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

C17H14FN3O4 — CID 71879473

IUPAC5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C17H14FN3O4/c1-9(22)19-10-3-5-13(18)12(7-10)16(23)20-11-4-6-14-15(8-11)25-17(24)21(14)2/h3-8H,1-2H3,(H,19,22)(H,20,23)
InChIKeyXGYZCGWZVOPIPZ-UHFFFAOYSA-N
MW343.31 g/mol
LogP2.48
Rot. Bonds3

About 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide

5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (PubChem CID 71879473) has the molecular formula C17H14FN3O4 and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
PubChem CID71879473
Molecular FormulaC17H14FN3O4
Molecular Weight343.31 g/mol
Exact Mass343.10
IUPAC Name5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C17H14FN3O4/c1-9(22)19-10-3-5-13(18)12(7-10)16(23)20-11-4-6-14-15(8-11)25-17(24)21(14)2/h3-8H,1-2H3,(H,19,22)(H,20,23)
InChIKeyXGYZCGWZVOPIPZ-UHFFFAOYSA-N
XLogP2.48
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-(4-acetylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766586
5-(4-fluoro-3-methylphenyl)-1-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrazole-3-carboxamide
CID 110411257
4-fluoro-2-[(4-methoxybenzoyl)amino]-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 86887242
2-hydroxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-nitrobenzamide
CID 122149852
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)benzamide
CID 86881850
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188
3,4,5-triethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 46346383
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
6-(3,4-difluorobenzoyl)-3-methyl-1,3-benzoxazol-2-one
CID 62275173

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The IUPAC name of 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide (CID 71879473) is 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide.
What is the SMILES notation for 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The canonical SMILES for 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
The InChIKey is XGYZCGWZVOPIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O4/c1-9(22)19-10-3-5-13(18)12(7-10)16(23)20-11-4-6-14-15(8-11)25-17(24)21(14)2/h3-8H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide?
5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide has a molecular weight of 343.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-fluoro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide is sourced from PubChem (CID 71879473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).