trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide

C14H19BrN2O — CID 124510929

IUPACtrans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)[C@@H]1CCC[C@H]1N
InChIInChI=1S/C14H19BrN2O/c1-17(9-10-5-2-3-7-12(10)15)14(18)11-6-4-8-13(11)16/h2-3,5,7,11,13H,4,6,8-9,16H2,1H3/t11-,13-/m1/s1
InChIKeyBRACCFOEWXXKKB-DGCLKSJQSA-N
MW311.22 g/mol
LogP2.53
Rot. Bonds3

About trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide

trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide (PubChem CID 124510929) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
PubChem CID124510929
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Nametrans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)[C@@H]1CCC[C@H]1N
InChIInChI=1S/C14H19BrN2O/c1-17(9-10-5-2-3-7-12(10)15)14(18)11-6-4-8-13(11)16/h2-3,5,7,11,13H,4,6,8-9,16H2,1H3/t11-,13-/m1/s1
InChIKeyBRACCFOEWXXKKB-DGCLKSJQSA-N
XLogP2.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-fluorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682173
2-amino-N-[(2-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682653
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119682796
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
N-[(2-bromophenyl)methyl]-N-methyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891550
2-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 64824365
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
cis-(1S,2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylcyclopentane-1-carboxamide
CID 97033065
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide (CID 124510929) is trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide is CN(Cc1ccccc1Br)C(=O)[C@@H]1CCC[C@H]1N.
What is the InChIKey of trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide?
The InChIKey is BRACCFOEWXXKKB-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(9-10-5-2-3-7-12(10)15)14(18)11-6-4-8-13(11)16/h2-3,5,7,11,13H,4,6,8-9,16H2,1H3/t11-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide?
trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-N-[(2-bromophenyl)methyl]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 124510929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).