N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide

C22H23F2N3O2 — CID 167709873

IUPACN-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESNc1cc(F)ccc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1C2
InChIInChI=1S/C22H23F2N3O2/c23-16-3-1-14-11-22(12-20(28)18(14)9-16)5-7-27(8-6-22)21(29)26-13-15-2-4-17(24)10-19(15)25/h1-4,9-10H,5-8,11-13,25H2,(H,26,29)
InChIKeyRSEMPTZBMXCPGO-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.67
Rot. Bonds2

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

N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (PubChem CID 167709873) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
PubChem CID167709873
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
SMILESNc1cc(F)ccc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1C2
InChIInChI=1S/C22H23F2N3O2/c23-16-3-1-14-11-22(12-20(28)18(14)9-16)5-7-27(8-6-22)21(29)26-13-15-2-4-17(24)10-19(15)25/h1-4,9-10H,5-8,11-13,25H2,(H,26,29)
InChIKeyRSEMPTZBMXCPGO-UHFFFAOYSA-N
XLogP3.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167601211
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide
CID 167564635
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
methyl 2-fluoro-5-[[(6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carbonyl)amino]methyl]benzoate
CID 167612068
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
N-[(2,4-difluorophenyl)methyl]-3-methyl-3,9-diazaspiro[5.6]dodecane-9-carboxamide
CID 119065239
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
(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-[(2,4-difluorophenyl)methyl]azepane-1-carboxamide
CID 115598132
N-[(3-carbamoyl-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 155573948
6-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-oxospiro[1,3-dihydroquinoline-2,4'-piperidine]-1'-carboxamide
CID 167538457

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide (CID 167709873) is N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is Nc1cc(F)ccc1CNC(=O)N1CCC2(CC1)CC(=O)c1cc(F)ccc1C2.
What is the InChIKey of N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
The InChIKey is RSEMPTZBMXCPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-16-3-1-14-11-22(12-20(28)18(14)9-16)5-7-27(8-6-22)21(29)26-13-15-2-4-17(24)10-19(15)25/h1-4,9-10H,5-8,11-13,25H2,(H,26,29).
What are the key properties of N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide?
N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-fluorophenyl)methyl]-6-fluoro-4-oxospiro[1,3-dihydronaphthalene-2,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 167709873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).