N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide

C15H20BrNO — CID 60630961

IUPACN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-17(11-13-9-5-6-10-14(13)16)15(18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyJQDAIYQFJZPZGT-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.99
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide (PubChem CID 60630961) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
PubChem CID60630961
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
SMILESCN(Cc1ccccc1Br)C(=O)C1CCCCC1
InChIInChI=1S/C15H20BrNO/c1-17(11-13-9-5-6-10-14(13)16)15(18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3
InChIKeyJQDAIYQFJZPZGT-UHFFFAOYSA-N
XLogP3.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177867
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 124510929
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420250
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
N-[(2-bromophenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891550
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
(4S)-N-[(2-bromophenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide
CID 93367241
N-[(2-bromophenyl)methyl]-N-methyl-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134044708
3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one
CID 155932036

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide (CID 60630961) is N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide is CN(Cc1ccccc1Br)C(=O)C1CCCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide?
The InChIKey is JQDAIYQFJZPZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-17(11-13-9-5-6-10-14(13)16)15(18)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8,11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide?
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide has a molecular weight of 310.23 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 60630961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).