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

C12H14F2N2O — CID 80587976

IUPAC1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2c(F)cccc2F)CCC1
InChIInChI=1S/C12H14F2N2O/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)
InChIKeyOSRKDHVTMJWJLL-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.03
Rot. Bonds3

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

1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide (PubChem CID 80587976) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
PubChem CID80587976
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide
SMILESNCC1(C(=O)Nc2c(F)cccc2F)CCC1
InChIInChI=1S/C12H14F2N2O/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)
InChIKeyOSRKDHVTMJWJLL-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-fluorobenzoic acid
CID 115435469
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-fluorobenzoic acid
CID 115438100
1-(aminomethyl)-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107599762
1-(aminomethyl)-N-(2,4-difluorophenyl)cyclobutane-1-carboxamide
CID 80586877
1-(aminomethyl)-N-(2,4,6-trimethylphenyl)cyclobutane-1-carboxamide
CID 80587408
N-(2,6-difluorophenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438554
1-(aminomethyl)-N-(2,4,6-trichlorophenyl)cyclobutane-1-carboxamide
CID 115447386
1-(aminomethyl)-N-(3-fluoro-4-hydroxyphenyl)cyclobutane-1-carboxamide
CID 113311717
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
N-(2,6-difluorophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439228
1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
2-[[1-(aminomethyl)cyclobutanecarbonyl]amino]benzoic acid
CID 115448247

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide (CID 80587976) is 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide is NCC1(C(=O)Nc2c(F)cccc2F)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is OSRKDHVTMJWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/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-difluorophenyl)cyclobutane-1-carboxamide?
1-(aminomethyl)-N-(2,6-difluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 240.25 g/mol, XLogP of 2.03, 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-difluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80587976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).