6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one

C14H10ClFN2O2 — CID 23992927

IUPAC6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1CNc1ccccc1F
InChIInChI=1S/C14H10ClFN2O2/c15-9-5-6-12-13(7-9)20-14(19)18(12)8-17-11-4-2-1-3-10(11)16/h1-7,17H,8H2
InChIKeyUBBGHBVYSDFHRJ-UHFFFAOYSA-N
MW292.70 g/mol
LogP3.46
Rot. Bonds3

About 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one

6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one (PubChem CID 23992927) has the molecular formula C14H10ClFN2O2 and a molecular weight of 292.70 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one
PubChem CID23992927
Molecular FormulaC14H10ClFN2O2
Molecular Weight292.70 g/mol
Exact Mass292.04
IUPAC Name6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2cc(Cl)ccc2n1CNc1ccccc1F
InChIInChI=1S/C14H10ClFN2O2/c15-9-5-6-12-13(7-9)20-14(19)18(12)8-17-11-4-2-1-3-10(11)16/h1-7,17H,8H2
InChIKeyUBBGHBVYSDFHRJ-UHFFFAOYSA-N
XLogP3.46
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.70
LogP ≤ 53.46
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-fluorophenyl)methyl]acetamide
CID 8986901
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
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)acetonitrile
CID 8986046
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-ethylacetamide
CID 20949278
2-[4-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 31131966
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 20949297
6-chloro-3-(3-iodoprop-2-ynyl)-1,3-benzoxazol-2-one
CID 19900716
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
CID 8986663
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 118717390

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one (CID 23992927) is 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one is O=c1oc2cc(Cl)ccc2n1CNc1ccccc1F.
What is the InChIKey of 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one?
The InChIKey is UBBGHBVYSDFHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O2/c15-9-5-6-12-13(7-9)20-14(19)18(12)8-17-11-4-2-1-3-10(11)16/h1-7,17H,8H2.
What are the key properties of 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one?
6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one has a molecular weight of 292.70 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluoroanilino)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 23992927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).