N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C15H14F2N2O3 — CID 2558565

IUPACN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C15H14F2N2O3/c1-8-5-11(9(2)22-8)15(21)18-7-14(20)19-10-3-4-12(16)13(17)6-10/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCQYHENWKWANNPW-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.54
Rot. Bonds4

About N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 2558565) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID2558565
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC NameN-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C15H14F2N2O3/c1-8-5-11(9(2)22-8)15(21)18-7-14(20)19-10-3-4-12(16)13(17)6-10/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyCQYHENWKWANNPW-UHFFFAOYSA-N
XLogP2.54
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 2558565) is N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c(C)o1.
What is the InChIKey of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is CQYHENWKWANNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c1-8-5-11(9(2)22-8)15(21)18-7-14(20)19-10-3-4-12(16)13(17)6-10/h3-6H,7H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 308.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 2558565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).