N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide

C15H13F3N2O3 — CID 2446512

IUPACN-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)20-13(21)6-7-19-14(22)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyXNXVUBJUOAKBJX-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.06
Rot. Bonds5

About N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide

N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide (PubChem CID 2446512) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide
PubChem CID2446512
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC NameN-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)20-13(21)6-7-19-14(22)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21)
InChIKeyXNXVUBJUOAKBJX-UHFFFAOYSA-N
XLogP3.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide?
The IUPAC name of N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide (CID 2446512) is N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide?
The canonical SMILES for N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide?
The InChIKey is XNXVUBJUOAKBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c16-15(17,18)10-3-1-4-11(9-10)20-13(21)6-7-19-14(22)12-5-2-8-23-12/h1-5,8-9H,6-7H2,(H,19,22)(H,20,21).
What are the key properties of N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide?
N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]furan-2-carboxamide is sourced from PubChem (CID 2446512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).