N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

C24H27BrClN3O3 — CID 3861917

IUPACN-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(Br)cc4Cl)C3)CC2)cc1
InChIInChI=1S/C24H27BrClN3O3/c1-2-32-19-6-3-17(4-7-19)22(30)28-12-9-24(10-13-28)11-14-29(16-24)23(31)27-21-8-5-18(25)15-20(21)26/h3-8,15H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyVIJWMYWIWUPRKA-UHFFFAOYSA-N
MW520.86 g/mol
LogP5.66
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide

N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3861917) has the molecular formula C24H27BrClN3O3 and a molecular weight of 520.86 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3861917
Molecular FormulaC24H27BrClN3O3
Molecular Weight520.86 g/mol
Exact Mass519.09
IUPAC NameN-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(Br)cc4Cl)C3)CC2)cc1
InChIInChI=1S/C24H27BrClN3O3/c1-2-32-19-6-3-17(4-7-19)22(30)28-12-9-24(10-13-28)11-14-29(16-24)23(31)27-21-8-5-18(25)15-20(21)26/h3-8,15H,2,9-14,16H2,1H3,(H,27,31)
InChIKeyVIJWMYWIWUPRKA-UHFFFAOYSA-N
XLogP5.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.86
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-chloro-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]benzamide
CID 112838966
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-(4-bromo-2-chlorophenyl)-2-(4-ethoxyphenoxy)propanamide
CID 53267905
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
N-(4-bromo-2-chlorophenyl)-4-propoxybenzamide
CID 8863043
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(tetrazol-1-yl)ethanone
CID 3262527
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 3870849
1-[8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one
CID 5174173
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3855067
8-(4-ethoxybenzoyl)-N-(oxolan-2-ylmethyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3672245

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 3861917) is N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is CCOc1ccc(C(=O)N2CCC3(CCN(C(=O)Nc4ccc(Br)cc4Cl)C3)CC2)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is VIJWMYWIWUPRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrClN3O3/c1-2-32-19-6-3-17(4-7-19)22(30)28-12-9-24(10-13-28)11-14-29(16-24)23(31)27-21-8-5-18(25)15-20(21)26/h3-8,15H,2,9-14,16H2,1H3,(H,27,31).
What are the key properties of N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide?
N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 520.86 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-8-(4-ethoxybenzoyl)-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3861917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).