N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

C16H13F6NO2 — CID 90536144

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)o1
InChIInChI=1S/C16H13F6NO2/c1-8-3-11(9(2)25-8)7-23-14(24)10-4-12(15(17,18)19)6-13(5-10)16(20,21)22/h3-6H,7H2,1-2H3,(H,23,24)
InChIKeyUQQRLVRXTSCMGQ-UHFFFAOYSA-N
MW365.27 g/mol
LogP4.86
Rot. Bonds3

About N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide

N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 90536144) has the molecular formula C16H13F6NO2 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID90536144
Molecular FormulaC16H13F6NO2
Molecular Weight365.27 g/mol
Exact Mass365.09
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)o1
InChIInChI=1S/C16H13F6NO2/c1-8-3-11(9(2)25-8)7-23-14(24)10-4-12(15(17,18)19)6-13(5-10)16(20,21)22/h3-6H,7H2,1-2H3,(H,23,24)
InChIKeyUQQRLVRXTSCMGQ-UHFFFAOYSA-N
XLogP4.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide (CID 90536144) is N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is Cc1cc(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is UQQRLVRXTSCMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6NO2/c1-8-3-11(9(2)25-8)7-23-14(24)10-4-12(15(17,18)19)6-13(5-10)16(20,21)22/h3-6H,7H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 365.27 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 90536144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).