N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

C20H17F4NO — CID 154864359

IUPACN-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)C(F)F)C1CC12CCc1ccccc12
InChIInChI=1S/C20H17F4NO/c21-12-5-6-16(22)13(9-12)17(18(23)24)25-19(26)15-10-20(15)8-7-11-3-1-2-4-14(11)20/h1-6,9,15,17-18H,7-8,10H2,(H,25,26)
InChIKeyUXLGGNUILVLFNQ-UHFFFAOYSA-N
MW363.35 g/mol
LogP4.29
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide

N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (PubChem CID 154864359) has the molecular formula C20H17F4NO and a molecular weight of 363.35 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
PubChem CID154864359
Molecular FormulaC20H17F4NO
Molecular Weight363.35 g/mol
Exact Mass363.12
IUPAC NameN-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
SMILESO=C(NC(c1cc(F)ccc1F)C(F)F)C1CC12CCc1ccccc12
InChIInChI=1S/C20H17F4NO/c21-12-5-6-16(22)13(9-12)17(18(23)24)25-19(26)15-10-20(15)8-7-11-3-1-2-4-14(11)20/h1-6,9,15,17-18H,7-8,10H2,(H,25,26)
InChIKeyUXLGGNUILVLFNQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide with MolForge

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Related Compounds

(2R)-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 119369980
2-cyclopropyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 120686692
3-phenyl-2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120580722
2-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)acetic acid
CID 119350169
N-(3-aminopropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119406914
3-(4-methylsulfanylphenyl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonylamino)propanoic acid
CID 120688333
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
N-(1-aminohexan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119666795
(1'R,3S)-N-(5,5,5-trifluoropentyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 100657709
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
N-(1-amino-2,3-dimethylbutan-2-yl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119607246
N-piperidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119426712

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide (CID 154864359) is N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is O=C(NC(c1cc(F)ccc1F)C(F)F)C1CC12CCc1ccccc12.
What is the InChIKey of N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
The InChIKey is UXLGGNUILVLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4NO/c21-12-5-6-16(22)13(9-12)17(18(23)24)25-19(26)15-10-20(15)8-7-11-3-1-2-4-14(11)20/h1-6,9,15,17-18H,7-8,10H2,(H,25,26).
What are the key properties of N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide?
N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide has a molecular weight of 363.35 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)-2,2-difluoroethyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 154864359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).