2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide

C15H18BrN3O — CID 84597824

IUPAC2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O/c16-14-7-11(8-17)5-6-12(14)9-19(10-15(18)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H2,18,20)
InChIKeyGRCWECIGXUSAGE-UHFFFAOYSA-N
MW336.23 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide

2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide (PubChem CID 84597824) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide
PubChem CID84597824
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide
SMILESN#Cc1ccc(CN(CC(N)=O)C2CCCC2)c(Br)c1
InChIInChI=1S/C15H18BrN3O/c16-14-7-11(8-17)5-6-12(14)9-19(10-15(18)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H2,18,20)
InChIKeyGRCWECIGXUSAGE-UHFFFAOYSA-N
XLogP2.55
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Cyanophenyl)methyl-cyclopentylamino]acetamide
CID 47037369
2-((3-Bromobenzyl)(isopropyl)amino)acetamide
CID 56810079
2-[2-(2-bromophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 118740669
2-[2-(2-Bromophenyl)pyrrolidin-1-yl]acetamide
CID 118740670
2-[(2-Bromophenyl)methyl-propan-2-ylamino]acetamide
CID 8538905
2-[(5-Bromo-2-fluorophenyl)methyl-propan-2-ylamino]acetamide
CID 47454033
2-((2-bromo-4-methylbenzyl)amino)-N-ethylacetamide
CID 75513992
2-[(2-Bromo-4-cyanophenyl)methyl-tert-butylamino]acetamide
CID 75517588
N-[2-[(2-bromo-4-cyanophenyl)methyl-methylamino]ethyl]-2-methylpropanamide
CID 75517593
3-Bromo-4-[[methyl-[2-(2-oxopyrrolidin-1-yl)ethyl]amino]methyl]benzonitrile
CID 86783497
(2R)-2-[(2-bromo-4-cyanophenyl)methyl-methylamino]propanamide
CID 86786217
2-[[(1S)-1-(2-bromophenyl)propyl]amino]-N,N-dimethylacetamide
CID 97334749

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide (CID 84597824) is 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide is N#Cc1ccc(CN(CC(N)=O)C2CCCC2)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide?
The InChIKey is GRCWECIGXUSAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c16-14-7-11(8-17)5-6-12(14)9-19(10-15(18)20)13-3-1-2-4-13/h5-7,13H,1-4,9-10H2,(H2,18,20).
What are the key properties of 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide?
2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide has a molecular weight of 336.23 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-cyanophenyl)methyl-cyclopentylamino]acetamide is sourced from PubChem (CID 84597824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).