2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H9Cl2F3N2O3 — CID 118717390

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H9Cl2F3N2O3/c17-9-2-4-12-13(6-9)26-15(25)23(12)7-14(24)22-11-5-8(16(19,20)21)1-3-10(11)18/h1-6H,7H2,(H,22,24)
InChIKeyIJFKJXBWMSAVFE-UHFFFAOYSA-N
MW405.16 g/mol
LogP4.56
Rot. Bonds3

About 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 118717390) has the molecular formula C16H9Cl2F3N2O3 and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID118717390
Molecular FormulaC16H9Cl2F3N2O3
Molecular Weight405.16 g/mol
Exact Mass403.99
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H9Cl2F3N2O3/c17-9-2-4-12-13(6-9)26-15(25)23(12)7-14(24)22-11-5-8(16(19,20)21)1-3-10(11)18/h1-6H,7H2,(H,22,24)
InChIKeyIJFKJXBWMSAVFE-UHFFFAOYSA-N
XLogP4.56
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986142
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-methylacetamide
CID 8986285
2-[4-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 31131966
N-(4-acetylphenyl)-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 8986207
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
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
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 5079389
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8986816

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 118717390) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IJFKJXBWMSAVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2O3/c17-9-2-4-12-13(6-9)26-15(25)23(12)7-14(24)22-11-5-8(16(19,20)21)1-3-10(11)18/h1-6H,7H2,(H,22,24).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 405.16 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118717390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).