1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide

C12H14Br2N2O — CID 107599762

IUPAC1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C12H14Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17)
InChIKeyGMVUUWRVOMBIML-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.28
Rot. Bonds3

About 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide

1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide (PubChem CID 107599762) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
PubChem CID107599762
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2c(Br)cccc2Br)CCC1
InChIInChI=1S/C12H14Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17)
InChIKeyGMVUUWRVOMBIML-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
CID 80587976
1-(aminomethyl)-N-(2-bromophenyl)cyclohexane-1-carboxamide
CID 113309812
1-(aminomethyl)-N-(3-bromo-2-pyridinyl)cyclopentane-1-carboxamide
CID 115435354
1-(aminomethyl)-N-(3-bromo-2-hydroxyphenyl)cyclopropane-1-carboxamide
CID 115453581
1-(aminomethyl)-N-(2-bromo-4-iodophenyl)cyclobutane-1-carboxamide
CID 114259927
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
1-(aminomethyl)-N-(2,4-dibromophenyl)cycloheptane-1-carboxamide
CID 115443809
4-(aminomethyl)-N-(2-bromophenyl)oxane-4-carboxamide
CID 115438925
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
1-(aminomethyl)-N-(2-bromo-4-nitrophenyl)cyclobutane-1-carboxamide
CID 115447730
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide (CID 107599762) is 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2c(Br)cccc2Br)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
The InChIKey is GMVUUWRVOMBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-8-3-1-4-9(14)10(8)16-11(17)12(7-15)5-2-6-12/h1,3-4H,2,5-7,15H2,(H,16,17).
What are the key properties of 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide has a molecular weight of 362.07 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107599762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).