3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one

C15H14ClNO4 — CID 34638588

IUPAC3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one
SMILESCOc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1C(C)=O
InChIInChI=1S/C15H14ClNO4/c1-8-6-12(19)14(9(2)18)15(21-8)17-11-7-10(16)4-5-13(11)20-3/h4-7,17H,1-3H3
InChIKeyLUQPAFOJNKNTOZ-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.56
Rot. Bonds4

About 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one

3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one (PubChem CID 34638588) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one.

Molecular Properties

Compound Name3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one
PubChem CID34638588
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Name3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one
SMILESCOc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1C(C)=O
InChIInChI=1S/C15H14ClNO4/c1-8-6-12(19)14(9(2)18)15(21-8)17-11-7-10(16)4-5-13(11)20-3/h4-7,17H,1-3H3
InChIKeyLUQPAFOJNKNTOZ-UHFFFAOYSA-N
XLogP3.56
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
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CID 172839336
1-[5-benzoyl-2-(5-chloro-2-methoxyanilino)-4-methylthiophen-3-yl]ethanone
CID 141302118
4-acetyl-2-[(5-chloro-2-methoxybenzoyl)amino]-5-methylfuran-3-carboxamide
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N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
5-chloro-2-methoxy-N-(2-methoxyphenyl)aniline
CID 10264756
(5-chloro-2-methoxyphenyl)hydrazine;oxalic acid
CID 175007834
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 16500504

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one?
The IUPAC name of 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one (CID 34638588) is 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one.
What is the SMILES notation for 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one?
The canonical SMILES for 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one is COc1ccc(Cl)cc1Nc1oc(C)cc(=O)c1C(C)=O.
What is the InChIKey of 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one?
The InChIKey is LUQPAFOJNKNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-8-6-12(19)14(9(2)18)15(21-8)17-11-7-10(16)4-5-13(11)20-3/h4-7,17H,1-3H3.
What are the key properties of 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one?
3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one has a molecular weight of 307.73 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2-(5-chloro-2-methoxyanilino)-6-methylpyran-4-one is sourced from PubChem (CID 34638588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).