N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H13ClN2O4 — CID 8986207

IUPACN-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H13ClN2O4/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-20-14-7-4-12(18)8-15(14)24-17(20)23/h2-8H,9H2,1H3,(H,19,22)
InChIKeyQPDNVRIYGCFXSC-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.09
Rot. Bonds4

About N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 8986207) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID8986207
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC NameN-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1
InChIInChI=1S/C17H13ClN2O4/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-20-14-7-4-12(18)8-15(14)24-17(20)23/h2-8H,9H2,1H3,(H,19,22)
InChIKeyQPDNVRIYGCFXSC-UHFFFAOYSA-N
XLogP3.09
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
methyl 4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoylamino]benzoate
CID 9138841
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
3-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-N-ethylbenzamide
CID 8986813
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 8986115
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8986491
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-methoxyphenyl)propanamide
CID 9138610
N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986142
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(4-propylphenyl)propanamide
CID 9225411
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 8986207) is N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(=O)c1ccc(NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is QPDNVRIYGCFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-20-14-7-4-12(18)8-15(14)24-17(20)23/h2-8H,9H2,1H3,(H,19,22).
What are the key properties of N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 344.75 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 8986207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).