4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

C21H29BrN2O — CID 14548236

IUPAC4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2N(CC1CC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H29BrN2O/c1-23-14-4-13-21(23)12-3-2-5-19(21)24(15-16-6-7-16)20(25)17-8-10-18(22)11-9-17/h8-11,16,19H,2-7,12-15H2,1H3/t19-,21+/m0/s1
InChIKeyCFDWVOCCPAMIBO-PZJWPPBQSA-N
MW405.38 g/mol
LogP4.71
Rot. Bonds4

About 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (PubChem CID 14548236) has the molecular formula C21H29BrN2O and a molecular weight of 405.38 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
PubChem CID14548236
Molecular FormulaC21H29BrN2O
Molecular Weight405.38 g/mol
Exact Mass404.15
IUPAC Name4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCN1CCC[C@@]12CCCC[C@@H]2N(CC1CC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H29BrN2O/c1-23-14-4-13-21(23)12-3-2-5-19(21)24(15-16-6-7-16)20(25)17-8-10-18(22)11-9-17/h8-11,16,19H,2-7,12-15H2,1H3/t19-,21+/m0/s1
InChIKeyCFDWVOCCPAMIBO-PZJWPPBQSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide 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 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (CID 14548236) is 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is CN1CCC[C@@]12CCCC[C@@H]2N(CC1CC1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The InChIKey is CFDWVOCCPAMIBO-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H29BrN2O/c1-23-14-4-13-21(23)12-3-2-5-19(21)24(15-16-6-7-16)20(25)17-8-10-18(22)11-9-17/h8-11,16,19H,2-7,12-15H2,1H3/t19-,21+/m0/s1.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide has a molecular weight of 405.38 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is sourced from PubChem (CID 14548236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).