2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide

C16H12ClFN2O3 — CID 8986901

IUPAC2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1F
InChIInChI=1S/C16H12ClFN2O3/c17-11-5-6-13-14(7-11)23-16(22)20(13)9-15(21)19-8-10-3-1-2-4-12(10)18/h1-7H,8-9H2,(H,19,21)
InChIKeyPXLCHYKRLFSVOG-UHFFFAOYSA-N
MW334.73 g/mol
LogP2.70
Rot. Bonds4

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

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 8986901) has the molecular formula C16H12ClFN2O3 and a molecular weight of 334.73 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID8986901
Molecular FormulaC16H12ClFN2O3
Molecular Weight334.73 g/mol
Exact Mass334.05
IUPAC Name2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1F
InChIInChI=1S/C16H12ClFN2O3/c17-11-5-6-13-14(7-11)23-16(22)20(13)9-15(21)19-8-10-3-1-2-4-12(10)18/h1-7H,8-9H2,(H,19,21)
InChIKeyPXLCHYKRLFSVOG-UHFFFAOYSA-N
XLogP2.70
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 52.70
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-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 20949297
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
N-[(3-aminophenyl)methyl]-2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 86581111
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 46964298
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-methylacetamide
CID 8986285
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 46963246
benzyl-[2-[[2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]ethyl]-methylazanium
CID 5092486
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 9143727
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-(2,5-difluorophenyl)acetamide
CID 8986314
6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one
CID 23992927
3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 17400266

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide (CID 8986901) is 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide is O=C(Cn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1F.
What is the InChIKey of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is PXLCHYKRLFSVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O3/c17-11-5-6-13-14(7-11)23-16(22)20(13)9-15(21)19-8-10-3-1-2-4-12(10)18/h1-7H,8-9H2,(H,19,21).
What are the key properties of 2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide?
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 334.73 g/mol, XLogP of 2.70, 4 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-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 8986901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).