2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide

C13H17BrN2O — CID 64825039

IUPAC2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2N)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-5-6-9(7-11(8)14)16-13(17)10-3-2-4-12(10)15/h5-7,10,12H,2-4,15H2,1H3,(H,16,17)
InChIKeyABIJQBABIWCENY-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.82
Rot. Bonds2

About 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide

2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 64825039) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
PubChem CID64825039
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCCC2N)cc1Br
InChIInChI=1S/C13H17BrN2O/c1-8-5-6-9(7-11(8)14)16-13(17)10-3-2-4-12(10)15/h5-7,10,12H,2-4,15H2,1H3,(H,16,17)
InChIKeyABIJQBABIWCENY-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639
2-amino-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670339
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
2-amino-N-(2-methyl-4-pyridinyl)cyclopentane-1-carboxamide
CID 79240939
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
2-amino-N-(2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxamide
CID 64817762
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
5-[(2-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide
CID 64823543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide (CID 64825039) is 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(NC(=O)C2CCCC2N)cc1Br.
What is the InChIKey of 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is ABIJQBABIWCENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-8-5-6-9(7-11(8)14)16-13(17)10-3-2-4-12(10)15/h5-7,10,12H,2-4,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide?
2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-bromo-4-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64825039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).