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

C13H17BrN2O — CID 82756642

IUPAC1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeySYRPQUSUMKRUNE-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.83
Rot. Bonds3

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

1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 82756642) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
PubChem CID82756642
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(CN)CCC2)c1
InChIInChI=1S/C13H17BrN2O/c1-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17)
InChIKeySYRPQUSUMKRUNE-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.83
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-fluorophenyl)cycloheptane-1-carboxamide
CID 107625627
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
3-[[1-(aminomethyl)cyclopropanecarbonyl]amino]-4-bromobenzoic acid
CID 107813532
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(5-methyl-2-nitrophenyl)cyclohexane-1-carboxamide
CID 115912642
1-(aminomethyl)-N-(4-bromo-2-methylphenyl)cyclopentane-1-carboxamide
CID 81484278
1-(aminomethyl)-N-(2-bromo-4-iodophenyl)cyclobutane-1-carboxamide
CID 114259927
1-(aminomethyl)-N-(6-methylnaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115183467
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072
1-(aminomethyl)-N-(2,5-dibromophenyl)-4-methylcyclohexane-1-carboxamide
CID 115441642
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide (CID 82756642) is 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide is Cc1ccc(Br)c(NC(=O)C2(CN)CCC2)c1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is SYRPQUSUMKRUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-9-3-4-10(14)11(7-9)16-12(17)13(8-15)5-2-6-13/h3-4,7H,2,5-6,8,15H2,1H3,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 82756642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).