N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide

C20H17F3N2O — CID 166585688

IUPACN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1CC1
InChIInChI=1S/C20H17F3N2O/c21-13-5-3-11(4-6-13)18-15(7-8-24-20(26)12-1-2-12)16-9-14(22)10-17(23)19(16)25-18/h3-6,9-10,12,25H,1-2,7-8H2,(H,24,26)
InChIKeyZBUWVQRDFOGJGV-UHFFFAOYSA-N
MW358.36 g/mol
LogP4.32
Rot. Bonds5

About N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide (PubChem CID 166585688) has the molecular formula C20H17F3N2O and a molecular weight of 358.36 g/mol. Its IUPAC name is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
PubChem CID166585688
Molecular FormulaC20H17F3N2O
Molecular Weight358.36 g/mol
Exact Mass358.13
IUPAC NameN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1CC1
InChIInChI=1S/C20H17F3N2O/c21-13-5-3-11(4-6-13)18-15(7-8-24-20(26)12-1-2-12)16-9-14(22)10-17(23)19(16)25-18/h3-6,9-10,12,25H,1-2,7-8H2,(H,24,26)
InChIKeyZBUWVQRDFOGJGV-UHFFFAOYSA-N
XLogP4.32
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
CID 166586079
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-hydroxyacetamide
CID 166585643
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
CID 166585625
3-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopentane-1-carboxylic acid
CID 175447345
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
CID 166585966
3-[[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-N-(oxan-4-ylmethyl)cyclobutane-1-carboxamide
CID 156816294
N'-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylbutanediamide
CID 166586096
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-methylfuran-3-carboxamide
CID 166586083
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylcarbamoyloxymethyl]cyclopropane-1-carboxylic acid
CID 166585668
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 166586073
4-[[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylamino]-hydroxymethyl]piperidine-2,6-dione
CID 166885889

Frequently Asked Questions

What is the IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide (CID 166585688) is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide is O=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1CC1.
What is the InChIKey of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is ZBUWVQRDFOGJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O/c21-13-5-3-11(4-6-13)18-15(7-8-24-20(26)12-1-2-12)16-9-14(22)10-17(23)19(16)25-18/h3-6,9-10,12,25H,1-2,7-8H2,(H,24,26).
What are the key properties of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide?
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 358.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 166585688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).