3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide

C24H26Cl2FN3O2 — CID 146410775

IUPAC3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1NC2(CCCCC2)C(C(=O)Nc2cccc(Cl)c2)C1c1cccc(Cl)c1F
InChIInChI=1S/C24H26Cl2FN3O2/c1-28-23(32)21-18(16-9-6-10-17(26)20(16)27)19(24(30-21)11-3-2-4-12-24)22(31)29-15-8-5-7-14(25)13-15/h5-10,13,18-19,21,30H,2-4,11-12H2,1H3,(H,28,32)(H,29,31)
InChIKeyVFJAFUBMLKHLFG-UHFFFAOYSA-N
MW478.40 g/mol
LogP4.89
Rot. Bonds4

About 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide

3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 146410775) has the molecular formula C24H26Cl2FN3O2 and a molecular weight of 478.40 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID146410775
Molecular FormulaC24H26Cl2FN3O2
Molecular Weight478.40 g/mol
Exact Mass477.14
IUPAC Name3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCNC(=O)C1NC2(CCCCC2)C(C(=O)Nc2cccc(Cl)c2)C1c1cccc(Cl)c1F
InChIInChI=1S/C24H26Cl2FN3O2/c1-28-23(32)21-18(16-9-6-10-17(26)20(16)27)19(24(30-21)11-3-2-4-12-24)22(31)29-15-8-5-7-14(25)13-15/h5-10,13,18-19,21,30H,2-4,11-12H2,1H3,(H,28,32)(H,29,31)
InChIKeyVFJAFUBMLKHLFG-UHFFFAOYSA-N
XLogP4.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.40
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 167005854
(2R,3S)-N-[(4-butan-2-ylphenyl)methyl]-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-formamidophenyl)-1-azaspiro[4.5]decane-2-carboxamide
CID 166753107
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CID 123290379
methyl 3-amino-4-[2-[(2S,3S,4S,5R)-3-amino-4-(3-chloro-2-fluorophenyl)-5-[(3-chlorophenyl)carbamoyl]pyrrolidin-2-yl]acetyl]-2-methoxybenzoate
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(S,R,S)-MI-1061
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(5R)-3-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-1-(cyclopentylmethyl)-5-(hydroxymethyl)pyrrolidine-2-carboxamide
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(6S,7S,7aR)-2'-tert-butyl-7-(3-chloro-2-fluorophenyl)-N-(3-chlorophenyl)-2-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-1-oxospiro[3,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide (CID 146410775) is 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide is CNC(=O)C1NC2(CCCCC2)C(C(=O)Nc2cccc(Cl)c2)C1c1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is VFJAFUBMLKHLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O2/c1-28-23(32)21-18(16-9-6-10-17(26)20(16)27)19(24(30-21)11-3-2-4-12-24)22(31)29-15-8-5-7-14(25)13-15/h5-10,13,18-19,21,30H,2-4,11-12H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide?
3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 478.40 g/mol, XLogP of 4.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-4-N-(3-chlorophenyl)-2-N-methyl-1-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 146410775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).