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

C20H19Cl2FN2O — CID 169216806

IUPACN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H19Cl2FN2O/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/h1-7,14H,8-12H2,(H,24,26)
InChIKeyAWINTHDRHFIPGH-UHFFFAOYSA-N
MW393.29 g/mol
LogP4.98
Rot. Bonds4

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

N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169216806) has the molecular formula C20H19Cl2FN2O and a molecular weight of 393.29 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID169216806
Molecular FormulaC20H19Cl2FN2O
Molecular Weight393.29 g/mol
Exact Mass392.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CC2(C1)CN(Cc1ccc(Cl)cc1)C2
InChIInChI=1S/C20H19Cl2FN2O/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/h1-7,14H,8-12H2,(H,24,26)
InChIKeyAWINTHDRHFIPGH-UHFFFAOYSA-N
XLogP4.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 54.98
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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide;ethane
CID 169216805
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-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216534
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
2-[2-(tert-butylamino)acetyl]-N-(3-chloro-5-methylphenyl)-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216800
2-(4-chlorophenyl)-1-[6-[(3,4-difluorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787318

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?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide (CID 169216806) is N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide is 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?
The InChIKey is AWINTHDRHFIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN2O/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/h1-7,14H,8-12H2,(H,24,26).
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide?
N-(3-chloro-5-fluorophenyl)-2-[(4-chlorophenyl)methyl]-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 4.98, 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 is sourced from PubChem (CID 169216806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).