N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

C27H27F3N4O5 — CID 118957986

IUPACN-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCC2(F)F)C1=O
InChIInChI=1S/C27H27F3N4O5/c1-31-24(37)32-19-8-9-20-17(13-19)10-12-26(20)23(36)34(25(38)39-26)15-22(35)33(21-3-2-11-27(21,29)30)14-16-4-6-18(28)7-5-16/h4-9,13,21H,2-3,10-12,14-15H2,1H3,(H2,31,32,37)/t21?,26-/m1/s1
InChIKeyDVZFUHPBBBPRQS-ZTDHTWSHSA-N
MW544.53 g/mol
LogP3.91
Rot. Bonds6

About N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide

N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (PubChem CID 118957986) has the molecular formula C27H27F3N4O5 and a molecular weight of 544.53 g/mol. Its IUPAC name is N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
PubChem CID118957986
Molecular FormulaC27H27F3N4O5
Molecular Weight544.53 g/mol
Exact Mass544.19
IUPAC NameN-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
SMILESCNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCC2(F)F)C1=O
InChIInChI=1S/C27H27F3N4O5/c1-31-24(37)32-19-8-9-20-17(13-19)10-12-26(20)23(36)34(25(38)39-26)15-22(35)33(21-3-2-11-27(21,29)30)14-16-4-6-18(28)7-5-16/h4-9,13,21H,2-3,10-12,14-15H2,1H3,(H2,31,32,37)/t21?,26-/m1/s1
InChIKeyDVZFUHPBBBPRQS-ZTDHTWSHSA-N
XLogP3.91
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 118956923
N-[(4-fluorophenyl)methyl]-N-(3-methoxycyclobutyl)-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957630
N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(3R)-1-methylsulfonylpyrrolidin-3-yl]acetamide
CID 118958134
tert-butyl 4-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexane-1-carboxylate
CID 118957242
[(3R)-3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]pyrrolidin-1-yl]methanesulfinate
CID 135204374
tert-butyl 2-[4-[(4-fluorophenyl)methyl-[2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]cyclohexylidene]acetate
CID 140851166
N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-N-[(4-fluorophenyl)methyl]-2-[6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide
CID 118957994
ethyl-[3-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]azetidin-1-yl]sulfonylcarbamic acid
CID 135205119
N-[(4-fluorophenyl)methyl]-2-[(3S)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 171904153
tert-butyl 2-[[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]methyl]pyrrolidine-1-carboxylate
CID 118957917
1-[(5R)-3-[2-[5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633775
tert-butyl 3-[1-[(4-fluorophenyl)methyl-[2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetyl]amino]ethyl]azetidine-1-carboxylate
CID 118957142

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The IUPAC name of N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide (CID 118957986) is N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide.
What is the SMILES notation for N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The canonical SMILES for N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is CNC(=O)Nc1ccc2c(c1)CC[C@@]21OC(=O)N(CC(=O)N(Cc2ccc(F)cc2)C2CCCC2(F)F)C1=O.
What is the InChIKey of N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
The InChIKey is DVZFUHPBBBPRQS-ZTDHTWSHSA-N. The full InChI is InChI=1S/C27H27F3N4O5/c1-31-24(37)32-19-8-9-20-17(13-19)10-12-26(20)23(36)34(25(38)39-26)15-22(35)33(21-3-2-11-27(21,29)30)14-16-4-6-18(28)7-5-16/h4-9,13,21H,2-3,10-12,14-15H2,1H3,(H2,31,32,37)/t21?,26-/m1/s1.
What are the key properties of N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide?
N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide has a molecular weight of 544.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopentyl)-N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]acetamide is sourced from PubChem (CID 118957986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).