N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane

C22H25Cl2FN2O — CID 169216805

IUPACN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
SMILESCC.O=C(Nc1cc(F)cc(Cl)c1)C1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H19Cl2FN2O.C2H6/c21-15-3-1-13(2-4-15)10-25-11-20(12-25)8-14(9-20)19(26)24-18-6-16(22)5-17(23)7-18;1-2/h1-7,14H,8-12H2,(H,24,26);1-2H3
InChIKeyPNXRKYACGFPHFG-UHFFFAOYSA-N
MW423.36 g/mol
LogP6.01
Rot. Bonds4

About N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane

N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane (PubChem CID 169216805) has the molecular formula C22H25Cl2FN2O and a molecular weight of 423.36 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
PubChem CID169216805
Molecular FormulaC22H25Cl2FN2O
Molecular Weight423.36 g/mol
Exact Mass422.13
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
SMILESCC.O=C(Nc1cc(F)cc(Cl)c1)C1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H19Cl2FN2O.C2H6/c21-15-3-1-13(2-4-15)10-25-11-20(12-25)8-14(9-20)19(26)24-18-6-16(22)5-17(23)7-18;1-2/h1-7,14H,8-12H2,(H,24,26);1-2H3
InChIKeyPNXRKYACGFPHFG-UHFFFAOYSA-N
XLogP6.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane with MolForge

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Related Compounds

N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216806
N-(3-chloro-5-fluorophenyl)-2-[2-(cyclopentylamino)-2-oxoethyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216766
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
N-(3-chloro-5-fluorophenyl)-2-(2-cyclopentyl-2,2-difluoroethyl)-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216205
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(3-chloro-5-fluorophenyl)pyrrolidine-3-carboxamide
CID 107365750
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216534
2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216800
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
N-(3-chloro-5-fluorophenyl)-2-[6-[(2-methyl-1,3-oxazol-4-yl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]acetamide
CID 169215280

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane (CID 169216805) is N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane is CC.O=C(Nc1cc(F)cc(Cl)c1)C1CC2(C1)CN(Cc1ccc(Cl)cc1)C2.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane?
The InChIKey is PNXRKYACGFPHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O.C2H6/c21-15-3-1-13(2-4-15)10-25-11-20(12-25)8-14(9-20)19(26)24-18-6-16(22)5-17(23)7-18;1-2/h1-7,14H,8-12H2,(H,24,26);1-2H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane?
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane has a molecular weight of 423.36 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane is sourced from PubChem (CID 169216805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).