1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide

C13H17BrN2O — CID 113311677

IUPAC1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccccc2Br)CCC1
InChIInChI=1S/C13H17BrN2O/c14-11-5-2-1-4-10(11)8-16-12(17)13(9-15)6-3-7-13/h1-2,4-5H,3,6-9,15H2,(H,16,17)
InChIKeyCIAKQQPEVPFQLI-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.19
Rot. Bonds4

About 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide

1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 113311677) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID113311677
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC Name1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
SMILESNCC1(C(=O)NCc2ccccc2Br)CCC1
InChIInChI=1S/C13H17BrN2O/c14-11-5-2-1-4-10(11)8-16-12(17)13(9-15)6-3-7-13/h1-2,4-5H,3,6-9,15H2,(H,16,17)
InChIKeyCIAKQQPEVPFQLI-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707366
1-(aminomethyl)-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 81484979
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
methyl 1-[(2-bromophenyl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184298
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
N-[2-(2-bromophenyl)ethyl]-1-(hydroxymethyl)cyclobutane-1-carboxamide
CID 115184176
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
1-(aminomethyl)-N-[(4-chlorophenyl)methyl]cyclobutane-1-carboxamide
CID 113311558
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide (CID 113311677) is 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide is NCC1(C(=O)NCc2ccccc2Br)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is CIAKQQPEVPFQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-5-2-1-4-10(11)8-16-12(17)13(9-15)6-3-7-13/h1-2,4-5H,3,6-9,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 113311677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).