N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide

C20H20ClFN2O3 — CID 167601211

IUPACN-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccc(Cl)o3)CC2)Cc2ccc(F)cc21
InChIInChI=1S/C20H20ClFN2O3/c21-18-4-3-15(27-18)12-23-19(26)24-7-5-20(6-8-24)10-13-1-2-14(22)9-16(13)17(25)11-20/h1-4,9H,5-8,10-12H2,(H,23,26)
InChIKeyQLABVVBKBKGDFV-UHFFFAOYSA-N
MW390.84 g/mol
LogP4.19
Rot. Bonds2

About N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide

N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (PubChem CID 167601211) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
PubChem CID167601211
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESO=C1CC2(CCN(C(=O)NCc3ccc(Cl)o3)CC2)Cc2ccc(F)cc21
InChIInChI=1S/C20H20ClFN2O3/c21-18-4-3-15(27-18)12-23-19(26)24-7-5-20(6-8-24)10-13-1-2-14(22)9-16(13)17(25)11-20/h1-4,9H,5-8,10-12H2,(H,23,26)
InChIKeyQLABVVBKBKGDFV-UHFFFAOYSA-N
XLogP4.19
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167709873
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
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
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
6,8-difluoro-N-[(2-methylfuran-3-yl)methyl]-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167640852
N-benzyl-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573755
N-[(5-chlorofuran-2-yl)methyl]-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 166191822
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457
N-(2H-benzimidazol-5-ylmethyl)-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167612755
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (CID 167601211) is N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is O=C1CC2(CCN(C(=O)NCc3ccc(Cl)o3)CC2)Cc2ccc(F)cc21.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is QLABVVBKBKGDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c21-18-4-3-15(27-18)12-23-19(26)24-7-5-20(6-8-24)10-13-1-2-14(22)9-16(13)17(25)11-20/h1-4,9H,5-8,10-12H2,(H,23,26).
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 390.84 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 167601211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).