N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide

C32H35BrClN3O2 — CID 11227275

IUPACN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C32H35BrClN3O2/c33-27-11-9-24(10-12-27)23-37-20-16-32(31(37)39)14-18-36(19-15-32)17-13-29(26-6-2-1-3-7-26)35-30(38)22-25-5-4-8-28(34)21-25/h1-12,21,29H,13-20,22-23H2,(H,35,38)
InChIKeyUCSVYMPSFZFKRZ-UHFFFAOYSA-N
MW609.01 g/mol
LogP6.41
Rot. Bonds9

About N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide

N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide (PubChem CID 11227275) has the molecular formula C32H35BrClN3O2 and a molecular weight of 609.01 g/mol. Its IUPAC name is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide
PubChem CID11227275
Molecular FormulaC32H35BrClN3O2
Molecular Weight609.01 g/mol
Exact Mass607.16
IUPAC NameN-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1
InChIInChI=1S/C32H35BrClN3O2/c33-27-11-9-24(10-12-27)23-37-20-16-32(31(37)39)14-18-36(19-15-32)17-13-29(26-6-2-1-3-7-26)35-30(38)22-25-5-4-8-28(34)21-25/h1-12,21,29H,13-20,22-23H2,(H,35,38)
InChIKeyUCSVYMPSFZFKRZ-UHFFFAOYSA-N
XLogP6.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.01
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide (CID 11227275) is N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide is O=C(Cc1cccc(Cl)c1)NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1.
What is the InChIKey of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide?
The InChIKey is UCSVYMPSFZFKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35BrClN3O2/c33-27-11-9-24(10-12-27)23-37-20-16-32(31(37)39)14-18-36(19-15-32)17-13-29(26-6-2-1-3-7-26)35-30(38)22-25-5-4-8-28(34)21-25/h1-12,21,29H,13-20,22-23H2,(H,35,38).
What are the key properties of N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide?
N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide has a molecular weight of 609.01 g/mol, XLogP of 6.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-bromophenyl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 11227275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).