N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide

C22H16F2N2O — CID 25114655

IUPACN-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)c(F)c2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H16F2N2O/c1-13(27)26-17-10-15(14-5-6-20(23)21(24)12-14)9-16(11-17)18-3-2-4-22-19(18)7-8-25-22/h2-12,25H,1H3,(H,26,27)
InChIKeyRRIJPSPSWGMZDS-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.74
Rot. Bonds3

About N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide

N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide (PubChem CID 25114655) has the molecular formula C22H16F2N2O and a molecular weight of 362.38 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
PubChem CID25114655
Molecular FormulaC22H16F2N2O
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC NameN-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1cc(-c2ccc(F)c(F)c2)cc(-c2cccc3[nH]ccc23)c1
InChIInChI=1S/C22H16F2N2O/c1-13(27)26-17-10-15(14-5-6-20(23)21(24)12-14)9-16(11-17)18-3-2-4-22-19(18)7-8-25-22/h2-12,25H,1H3,(H,26,27)
InChIKeyRRIJPSPSWGMZDS-UHFFFAOYSA-N
XLogP5.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide?
The IUPAC name of N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide (CID 25114655) is N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide is CC(=O)Nc1cc(-c2ccc(F)c(F)c2)cc(-c2cccc3[nH]ccc23)c1.
What is the InChIKey of N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide?
The InChIKey is RRIJPSPSWGMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O/c1-13(27)26-17-10-15(14-5-6-20(23)21(24)12-14)9-16(11-17)18-3-2-4-22-19(18)7-8-25-22/h2-12,25H,1H3,(H,26,27).
What are the key properties of N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide?
N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide has a molecular weight of 362.38 g/mol, XLogP of 5.74, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenyl)-5-(1H-indol-4-yl)phenyl]acetamide is sourced from PubChem (CID 25114655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).