3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one

C15H12ClNO2 — CID 3152823

IUPAC3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(Cl)cc1NC1OC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)15(18)19-14/h2-8,14,17H,1H3
InChIKeyPHIJICDQJGQSRT-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.93
Rot. Bonds2

About 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one

3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one (PubChem CID 3152823) has the molecular formula C15H12ClNO2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one
PubChem CID3152823
Molecular FormulaC15H12ClNO2
Molecular Weight273.72 g/mol
Exact Mass273.06
IUPAC Name3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one
SMILESCc1ccc(Cl)cc1NC1OC(=O)c2ccccc21
InChIInChI=1S/C15H12ClNO2/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)15(18)19-14/h2-8,14,17H,1H3
InChIKeyPHIJICDQJGQSRT-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one (CID 3152823) is 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one is Cc1ccc(Cl)cc1NC1OC(=O)c2ccccc21.
What is the InChIKey of 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one?
The InChIKey is PHIJICDQJGQSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2/c1-9-6-7-10(16)8-13(9)17-14-11-4-2-3-5-12(11)15(18)19-14/h2-8,14,17H,1H3.
What are the key properties of 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one?
3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one has a molecular weight of 273.72 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylanilino)-3H-2-benzofuran-1-one is sourced from PubChem (CID 3152823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).