1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide

C13H17BrN2O — CID 82757304

IUPAC1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-4-5-10(14)11(8-9)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyKWLIJGCKQWSQQN-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.97
Rot. Bonds2

About 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide

1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 82757304) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
PubChem CID82757304
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(N)CCCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-4-5-10(14)11(8-9)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17)
InChIKeyKWLIJGCKQWSQQN-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
3-[(1-aminocyclobutanecarbonyl)amino]-4-bromobenzoic acid
CID 107813502
2-[(1-aminocyclohexanecarbonyl)amino]-5-methylbenzoic acid
CID 61159058
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
CID 115913894
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
(2-bromo-5-methylphenyl)urea
CID 82707313
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide (CID 82757304) is 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide is Cc1ccc(Br)c(NC(=O)C2(N)CCCC2)c1.
What is the InChIKey of 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is KWLIJGCKQWSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-4-5-10(14)11(8-9)16-12(17)13(15)6-2-3-7-13/h4-5,8H,2-3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide?
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 82757304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).