2-(3-chloroanilino)-3,1-benzoxazin-4-one

C14H9ClN2O2 — CID 2767224

IUPAC2-(3-chloroanilino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)16-14-17-12-7-2-1-6-11(12)13(18)19-14/h1-8H,(H,16,17)
InChIKeyXFMFCABUVISWCB-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-chloroanilino)-3,1-benzoxazin-4-one

2-(3-chloroanilino)-3,1-benzoxazin-4-one (PubChem CID 2767224) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(3-chloroanilino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(3-chloroanilino)-3,1-benzoxazin-4-one
PubChem CID2767224
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(3-chloroanilino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)16-14-17-12-7-2-1-6-11(12)13(18)19-14/h1-8H,(H,16,17)
InChIKeyXFMFCABUVISWCB-UHFFFAOYSA-N
XLogP3.59
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(3-chloroanilino)-3,1-benzoxazin-4-one (CID 2767224) is 2-(3-chloroanilino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(3-chloroanilino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(3-chloroanilino)-3,1-benzoxazin-4-one is O=c1oc(Nc2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3-chloroanilino)-3,1-benzoxazin-4-one?
The InChIKey is XFMFCABUVISWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-9-4-3-5-10(8-9)16-14-17-12-7-2-1-6-11(12)13(18)19-14/h1-8H,(H,16,17).
What are the key properties of 2-(3-chloroanilino)-3,1-benzoxazin-4-one?
2-(3-chloroanilino)-3,1-benzoxazin-4-one has a molecular weight of 272.69 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 2767224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).