N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide

C17H11F5N2O — CID 87145352

IUPACN-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1)C(F)(F)F
InChIInChI=1S/C17H11F5N2O/c18-12-5-10(6-13(19)7-12)9-24-4-3-11-1-2-14(8-15(11)24)23-16(25)17(20,21)22/h1-8H,9H2,(H,23,25)
InChIKeyRJVUQCGAXDEGPI-UHFFFAOYSA-N
MW354.28 g/mol
LogP4.47
Rot. Bonds3

About N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide

N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide (PubChem CID 87145352) has the molecular formula C17H11F5N2O and a molecular weight of 354.28 g/mol. Its IUPAC name is N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide
PubChem CID87145352
Molecular FormulaC17H11F5N2O
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC NameN-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1)C(F)(F)F
InChIInChI=1S/C17H11F5N2O/c18-12-5-10(6-13(19)7-12)9-24-4-3-11-1-2-14(8-15(11)24)23-16(25)17(20,21)22/h1-8H,9H2,(H,23,25)
InChIKeyRJVUQCGAXDEGPI-UHFFFAOYSA-N
XLogP4.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide (CID 87145352) is N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc2ccn(Cc3cc(F)cc(F)c3)c2c1)C(F)(F)F.
What is the InChIKey of N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide?
The InChIKey is RJVUQCGAXDEGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O/c18-12-5-10(6-13(19)7-12)9-24-4-3-11-1-2-14(8-15(11)24)23-16(25)17(20,21)22/h1-8H,9H2,(H,23,25).
What are the key properties of N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide?
N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide has a molecular weight of 354.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-difluorophenyl)methyl]indol-6-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87145352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).