N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide

C27H20F6N2O2 — CID 73353943

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3
InChIKeyDFLNKQIQSDHWAQ-UHFFFAOYSA-N
MW518.46 g/mol
LogP7.78
Rot. Bonds6

About N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide

N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 73353943) has the molecular formula C27H20F6N2O2 and a molecular weight of 518.46 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide
PubChem CID73353943
Molecular FormulaC27H20F6N2O2
Molecular Weight518.46 g/mol
Exact Mass518.14
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide
SMILESCC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1
InChIInChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3
InChIKeyDFLNKQIQSDHWAQ-UHFFFAOYSA-N
XLogP7.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.46
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide (CID 73353943) is N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide is CC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1cnccc1-c1ccccc1)C(=O)c1ccco1.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide?
The InChIKey is DFLNKQIQSDHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F6N2O2/c1-17(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)35(25(36)24-8-5-11-37-24)16-20-15-34-10-9-23(20)18-6-3-2-4-7-18/h2-15,17H,16H2,1H3.
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide?
N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 518.46 g/mol, XLogP of 7.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-[(4-phenyl-3-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 73353943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).