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

C21H18F4N2O — CID 166585625

IUPACN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1(F)CCC1
InChIInChI=1S/C21H18F4N2O/c22-13-4-2-12(3-5-13)18-15(6-9-26-20(28)21(25)7-1-8-21)16-10-14(23)11-17(24)19(16)27-18/h2-5,10-11,27H,1,6-9H2,(H,26,28)
InChIKeyUWNDUYUWSYMRGE-UHFFFAOYSA-N
MW390.38 g/mol
LogP4.80
Rot. Bonds5

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

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide (PubChem CID 166585625) has the molecular formula C21H18F4N2O and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
PubChem CID166585625
Molecular FormulaC21H18F4N2O
Molecular Weight390.38 g/mol
Exact Mass390.14
IUPAC NameN-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide
SMILESO=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1(F)CCC1
InChIInChI=1S/C21H18F4N2O/c22-13-4-2-12(3-5-13)18-15(6-9-26-20(28)21(25)7-1-8-21)16-10-14(23)11-17(24)19(16)27-18/h2-5,10-11,27H,1,6-9H2,(H,26,28)
InChIKeyUWNDUYUWSYMRGE-UHFFFAOYSA-N
XLogP4.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]cyclopropanecarboxamide
CID 166585688
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-hydroxyacetamide
CID 166585643
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[1-(2-hydroxyethyl)cyclopropyl]urea
CID 166585966
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethylcarbamoyloxymethyl]cyclopropane-1-carboxylic acid
CID 166585668
(2S)-N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-6-oxopiperidine-2-carboxamide
CID 166586079
1-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 166586116
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]ethyl]-3-[(2-methylfuran-3-yl)methyl]urea
CID 166585913
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 166586073
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(3-methyloxolan-3-yl)propanamide
CID 166585788
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]-1-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide (CID 166585625) is N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide is O=C(NCCc1c(-c2ccc(F)cc2)[nH]c2c(F)cc(F)cc12)C1(F)CCC1.
What is the InChIKey of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide?
The InChIKey is UWNDUYUWSYMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N2O/c22-13-4-2-12(3-5-13)18-15(6-9-26-20(28)21(25)7-1-8-21)16-10-14(23)11-17(24)19(16)27-18/h2-5,10-11,27H,1,6-9H2,(H,26,28).
What are the key properties of N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide?
N-[2-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]ethyl]-1-fluorocyclobutane-1-carboxamide has a molecular weight of 390.38 g/mol, XLogP of 4.80, 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]-1-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 166585625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).