6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

C46H47F9N4O3 — CID 167592857

IUPAC6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2C3)c(C(F)(F)F)c1.NCc1ccc(F)cc1C(F)(F)F.O=C1CC2(CCNCC2)Cc2ccc(F)cc21
InChIInChI=1S/C24H24F4N2O2.C14H16FNO.C8H7F4N/c1-15-2-3-17(20(10-15)24(26,27)28)14-29-22(32)30-8-6-23(7-9-30)12-16-4-5-18(25)11-19(16)21(31)13-23;15-11-2-1-10-8-14(3-5-16-6-4-14)9-13(17)12(10)7-11;9-6-2-1-5(4-13)7(3-6)8(10,11)12/h2-5,10-11H,6-9,12-14H2,1H3,(H,29,32);1-2,7,16H,3-6,8-9H2;1-3H,4,13H2
InChIKeyIQRSOMAFIUHEKB-UHFFFAOYSA-N
MW874.89 g/mol
LogP9.90
Rot. Bonds3

About 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine

6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine (PubChem CID 167592857) has the molecular formula C46H47F9N4O3 and a molecular weight of 874.89 g/mol. Its IUPAC name is 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
PubChem CID167592857
Molecular FormulaC46H47F9N4O3
Molecular Weight874.89 g/mol
Exact Mass874.35
IUPAC Name6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine
SMILESCc1ccc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2C3)c(C(F)(F)F)c1.NCc1ccc(F)cc1C(F)(F)F.O=C1CC2(CCNCC2)Cc2ccc(F)cc21
InChIInChI=1S/C24H24F4N2O2.C14H16FNO.C8H7F4N/c1-15-2-3-17(20(10-15)24(26,27)28)14-29-22(32)30-8-6-23(7-9-30)12-16-4-5-18(25)11-19(16)21(31)13-23;15-11-2-1-10-8-14(3-5-16-6-4-14)9-13(17)12(10)7-11;9-6-2-1-5(4-13)7(3-6)8(10,11)12/h2-5,10-11H,6-9,12-14H2,1H3,(H,29,32);1-2,7,16H,3-6,8-9H2;1-3H,4,13H2
InChIKeyIQRSOMAFIUHEKB-UHFFFAOYSA-N
XLogP9.90
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.89
LogP ≤ 59.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine with MolForge

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Related Compounds

N-[(4-amino-2,3-difluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;4-(aminomethyl)-2,3-difluoroaniline;deuterio(iodo)methane;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 167643044
N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167709873
(2,4-difluorophenyl)methanamine;N-[(2,4-difluorophenyl)methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one;methane
CID 167637368
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167601211
7-methylspiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one
CID 170134760
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167640852
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
(1R)-1-[5-(aminomethyl)-2-fluorophenyl]-2,2,2-trifluoroethanamine;N-[[3-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluorophenyl]methyl]-6-fluoro-1-methyl-4-oxospiro[3H-quinoline-2,4'-piperidine]-1'-carboxamide;6-fluoro-1-methylspiro[3H-quinoline-2,4'-piperidine]-4-one
CID 167657684
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-pentan-3-ylurea
CID 78880942

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine (CID 167592857) is 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine is Cc1ccc(CNC(=O)N2CCC3(CC2)CC(=O)c2cc(F)ccc2C3)c(C(F)(F)F)c1.NCc1ccc(F)cc1C(F)(F)F.O=C1CC2(CCNCC2)Cc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IQRSOMAFIUHEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O2.C14H16FNO.C8H7F4N/c1-15-2-3-17(20(10-15)24(26,27)28)14-29-22(32)30-8-6-23(7-9-30)12-16-4-5-18(25)11-19(16)21(31)13-23;15-11-2-1-10-8-14(3-5-16-6-4-14)9-13(17)12(10)7-11;9-6-2-1-5(4-13)7(3-6)8(10,11)12/h2-5,10-11H,6-9,12-14H2,1H3,(H,29,32);1-2,7,16H,3-6,8-9H2;1-3H,4,13H2.
What are the key properties of 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine?
6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 874.89 g/mol, XLogP of 9.90, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide;7-fluorospiro[2,4-dihydronaphthalene-3,4'-piperidine]-1-one;[4-fluoro-2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 167592857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).