N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide

C15H21BrN2O — CID 60647343

IUPACN-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-18(11-12-6-2-5-9-14(12)16)15(19)10-17-13-7-3-4-8-13/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3
InChIKeyXZVMZHCGXUJSKF-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.94
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide (PubChem CID 60647343) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
PubChem CID60647343
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNC1CCCC1
InChIInChI=1S/C15H21BrN2O/c1-18(11-12-6-2-5-9-14(12)16)15(19)10-17-13-7-3-4-8-13/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3
InChIKeyXZVMZHCGXUJSKF-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylamino)-N-[(2,3-dichlorophenyl)methyl]-N-methylacetamide
CID 60686913
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
N-[(2-bromophenyl)methyl]-N-methyl-3-(thian-4-ylamino)propanamide
CID 119128773
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158503
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[4-[(2-bromophenyl)methyl-methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46429667
2-N-[(2-bromophenyl)methyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 55087665
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide (CID 60647343) is N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CNC1CCCC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide?
The InChIKey is XZVMZHCGXUJSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-18(11-12-6-2-5-9-14(12)16)15(19)10-17-13-7-3-4-8-13/h2,5-6,9,13,17H,3-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide has a molecular weight of 325.25 g/mol, XLogP of 2.94, 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]-2-(cyclopentylamino)-N-methylacetamide is sourced from PubChem (CID 60647343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).