4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

C19H27BrN2O — CID 14548225

IUPAC4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCCN2C
InChIInChI=1S/C19H27BrN2O/c1-14-13-15(20)8-9-16(14)18(23)22(3)17-7-4-5-10-19(17)11-6-12-21(19)2/h8-9,13,17H,4-7,10-12H2,1-3H3/t17-,19+/m0/s1
InChIKeyFDLBGWVLLWZVNF-PKOBYXMFSA-N
MW379.34 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide

4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (PubChem CID 14548225) has the molecular formula C19H27BrN2O and a molecular weight of 379.34 g/mol. Its IUPAC name is 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
PubChem CID14548225
Molecular FormulaC19H27BrN2O
Molecular Weight379.34 g/mol
Exact Mass378.13
IUPAC Name4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide
SMILESCc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCCN2C
InChIInChI=1S/C19H27BrN2O/c1-14-13-15(20)8-9-16(14)18(23)22(3)17-7-4-5-10-19(17)11-6-12-21(19)2/h8-9,13,17H,4-7,10-12H2,1-3H3/t17-,19+/m0/s1
InChIKeyFDLBGWVLLWZVNF-PKOBYXMFSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide with MolForge

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Related Compounds

Bromadoline
CID 54753
4-bromo-N-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
CID 7696510
1-(4-Bromobenzoyl)-2-phenylpyrrolidine-2-carbonitrile
CID 2885882
4,N-Dimethyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548217
3,4-Dibromo-N-methyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548221
4-Bromo-N-cyclopropylmethyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548236
4-Bromo-N-isobutyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548238
4-bromo-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
CID 45259478
4-bromo-2-chloro-N-methyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
CID 45259500
4-bromo-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide;hydrochloride
CID 45259536
2-(4-bromophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46877999
1-(7-Bromo-3,3-dimethyl-4-oxonaphthalen-1-yl)pyrrolidin-2-one
CID 14957743

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The IUPAC name of 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide (CID 14548225) is 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide.
What is the SMILES notation for 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The canonical SMILES for 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCCN2C.
What is the InChIKey of 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
The InChIKey is FDLBGWVLLWZVNF-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H27BrN2O/c1-14-13-15(20)8-9-16(14)18(23)22(3)17-7-4-5-10-19(17)11-6-12-21(19)2/h8-9,13,17H,4-7,10-12H2,1-3H3/t17-,19+/m0/s1.
What are the key properties of 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide?
4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide has a molecular weight of 379.34 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,2-dimethyl-N-[(5R,6S)-1-methyl-1-azaspiro[4.5]decan-6-yl]benzamide is sourced from PubChem (CID 14548225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).