3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride

C46H55Br2ClN8O6 — CID 157275819

About 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride

3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride (PubChem CID 157275819) has the molecular formula C46H55Br2ClN8O6 and a molecular weight of 1011.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride.

Molecular Properties

• Compound Name: 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride
• PubChem CID: 157275819
• Molecular Formula: C46H55Br2ClN8O6
• Molecular Weight: 1011.26 g/mol
• Exact Mass: 1008.23
• IUPAC Name: 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride
• SMILES: CNC(=O)Cl.CNC(=O)N1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1cccc(OC)c1.COc1cccc(CN2C(=O)N(c3ccc(Br)cc3)CC23CCNCC3)c1
• InChI: InChI=1S/C23H27BrN4O3.C21H24BrN3O2.C2H4ClNO/c1-25-21(29)26-12-10-23(11-13-26)16-27(19-8-6-18(24)7-9-19)22(30)28(23)15-17-4-3-5-20(14-17)31-2;1-27-19-4-2-3-16(13-19)14-25-20(26)24(18-7-5-17(22)6-8-18)15-21(25)9-11-23-12-10-21;1-4-2(3)5/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,29);2-8,13,23H,9-12,14-15H2,1H3;1H3,(H,4,5)
• InChIKey: AZBWKYDQFXYELF-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 139.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1011.26
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride?

The IUPAC name of 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride (CID 157275819) is 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride.

What is the SMILES notation for 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride?

The canonical SMILES for 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride is CNC(=O)Cl.CNC(=O)N1CCC2(CC1)CN(c1ccc(Br)cc1)C(=O)N2Cc1cccc(OC)c1.COc1cccc(CN2C(=O)N(c3ccc(Br)cc3)CC23CCNCC3)c1.

What is the InChIKey of 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride?

The InChIKey is AZBWKYDQFXYELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN4O3.C21H24BrN3O2.C2H4ClNO/c1-25-21(29)26-12-10-23(11-13-26)16-27(19-8-6-18(24)7-9-19)22(30)28(23)15-17-4-3-5-20(14-17)31-2;1-27-19-4-2-3-16(13-19)14-25-20(26)24(18-7-5-17(22)6-8-18)15-21(25)9-11-23-12-10-21;1-4-2(3)5/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,29);2-8,13,23H,9-12,14-15H2,1H3;1H3,(H,4,5).

What are the key properties of 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride?

3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride has a molecular weight of 1011.26 g/mol, XLogP of 8.66, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-N-methyl-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide;3-(4-bromophenyl)-1-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;N-methylcarbamoyl chloride is sourced from PubChem (CID 157275819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).