N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

C17H13FN2O4 — CID 110344778

IUPACN-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O4/c18-11-2-1-3-12(9-11)19-16(22)7-6-14(21)10-4-5-13-15(8-10)24-17(23)20-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyJNZXGQYDCYTBAJ-UHFFFAOYSA-N
MW328.30 g/mol
LogP2.86
Rot. Bonds5

About N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide

N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (PubChem CID 110344778) has the molecular formula C17H13FN2O4 and a molecular weight of 328.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
PubChem CID110344778
Molecular FormulaC17H13FN2O4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC NameN-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(F)c1
InChIInChI=1S/C17H13FN2O4/c18-11-2-1-3-12(9-11)19-16(22)7-6-14(21)10-4-5-13-15(8-10)24-17(23)20-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23)
InChIKeyJNZXGQYDCYTBAJ-UHFFFAOYSA-N
XLogP2.86
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344771
N-(4-ethylphenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110344752
5-(4-fluorophenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pentanamide
CID 110616402
N-(3-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 26579364
4-(2-methylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110608184
6-(3-chloropropanoyl)-3H-1,3-benzoxazol-2-one
CID 11790876
4-(3-methoxyphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110607947
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
4-(4-tert-butylphenyl)-4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110410924
4-oxo-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 38467775
6-(4,4-dimethylpentanoyl)-3H-1,3-benzoxazol-2-one
CID 114212569

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide (CID 110344778) is N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is O=C(CCC(=O)c1ccc2[nH]c(=O)oc2c1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is JNZXGQYDCYTBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O4/c18-11-2-1-3-12(9-11)19-16(22)7-6-14(21)10-4-5-13-15(8-10)24-17(23)20-13/h1-5,8-9H,6-7H2,(H,19,22)(H,20,23).
What are the key properties of N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide?
N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 328.30 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-oxo-4-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 110344778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).