N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide

C17H25BrN2O — CID 65242109

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N(C)Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-19-17(10-6-3-7-11-17)12-16(21)20(2)13-14-8-4-5-9-15(14)18/h4-5,8-9,19H,3,6-7,10-13H2,1-2H3
InChIKeyLZKCXFHBHQZYNX-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.72
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide

N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65242109) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65242109
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)N(C)Cc2ccccc2Br)CCCCC1
InChIInChI=1S/C17H25BrN2O/c1-19-17(10-6-3-7-11-17)12-16(21)20(2)13-14-8-4-5-9-15(14)18/h4-5,8-9,19H,3,6-7,10-13H2,1-2H3
InChIKeyLZKCXFHBHQZYNX-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241957
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 54869193
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 105417592
N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide (CID 65242109) is N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)N(C)Cc2ccccc2Br)CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is LZKCXFHBHQZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-19-17(10-6-3-7-11-17)12-16(21)20(2)13-14-8-4-5-9-15(14)18/h4-5,8-9,19H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide?
N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 353.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65242109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).