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

C15H9Cl2FN2O3 — CID 8986142

IUPACN-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H9Cl2FN2O3/c16-8-1-4-12-13(5-8)23-15(22)20(12)7-14(21)19-11-3-2-9(18)6-10(11)17/h1-6H,7H2,(H,19,21)
InChIKeyRTQLNYVANLLRGO-UHFFFAOYSA-N
MW355.15 g/mol
LogP3.68
Rot. Bonds3

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

N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 8986142) has the molecular formula C15H9Cl2FN2O3 and a molecular weight of 355.15 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID8986142
Molecular FormulaC15H9Cl2FN2O3
Molecular Weight355.15 g/mol
Exact Mass354.00
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H9Cl2FN2O3/c16-8-1-4-12-13(5-8)23-15(22)20(12)7-14(21)19-11-3-2-9(18)6-10(11)17/h1-6H,7H2,(H,19,21)
InChIKeyRTQLNYVANLLRGO-UHFFFAOYSA-N
XLogP3.68
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 118717390
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
N-(2,4-difluorophenyl)-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 9408977
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8986901
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 8986507
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-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816
N-(2-chloro-4-nitrophenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 18886699

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 8986142) is N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is RTQLNYVANLLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FN2O3/c16-8-1-4-12-13(5-8)23-15(22)20(12)7-14(21)19-11-3-2-9(18)6-10(11)17/h1-6H,7H2,(H,19,21).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 355.15 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 8986142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).