N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide

C14H12ClNO4 — CID 30860256

IUPACN-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)Nc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C14H12ClNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyTWYMXKHHRGZQEX-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.94
Rot. Bonds4

About N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide

N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide (PubChem CID 30860256) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide
PubChem CID30860256
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC NameN-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide
SMILESCCOc1coc(C(=O)Nc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C14H12ClNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,18)
InChIKeyTWYMXKHHRGZQEX-UHFFFAOYSA-N
XLogP2.94
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide (CID 30860256) is N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide is CCOc1coc(C(=O)Nc2ccc(Cl)cc2)cc1=O.
What is the InChIKey of N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide?
The InChIKey is TWYMXKHHRGZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-2-19-13-8-20-12(7-11(13)17)14(18)16-10-5-3-9(15)4-6-10/h3-8H,2H2,1H3,(H,16,18).
What are the key properties of N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide?
N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide has a molecular weight of 293.71 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-ethoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 30860256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).