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

C12H15BrN2O — CID 81179728

IUPAC1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1(N)CCC1
InChIInChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)15-11(16)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyUICZTAZKCHMESF-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.58
Rot. Bonds2

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

1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 81179728) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
PubChem CID81179728
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(Br)cc1NC(=O)C1(N)CCC1
InChIInChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)15-11(16)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3,(H,15,16)
InChIKeyUICZTAZKCHMESF-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 24696673
1-amino-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]cyclohexane-1-carboxamide
CID 119312323
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119762938
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937
1-amino-N-(4-bromo-2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119682529
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
1-amino-N-(5-bromo-2-chlorophenyl)cyclohexane-1-carboxamide
CID 55131672
1-amino-N-(2,5-dibromophenyl)cyclopropane-1-carboxamide
CID 65465089
1-amino-N-(2,4-dibromophenyl)cyclohexane-1-carboxamide
CID 43702659
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide (CID 81179728) is 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide is Cc1ccc(Br)cc1NC(=O)C1(N)CCC1.
What is the InChIKey of 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is UICZTAZKCHMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-3-4-9(13)7-10(8)15-11(16)12(14)5-2-6-12/h3-4,7H,2,5-6,14H2,1H3,(H,15,16).
What are the key properties of 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide?
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 81179728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).