N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

C13H15F3N2O — CID 120605415

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
SMILESNCc1cc(NC(=O)C2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-4-8(7-17)5-11(6-10)18-12(19)9-2-1-3-9/h4-6,9H,1-3,7,17H2,(H,18,19)
InChIKeySFNBDIPWGMZWRR-UHFFFAOYSA-N
MW272.27 g/mol
LogP2.90
Rot. Bonds3

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide (PubChem CID 120605415) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
PubChem CID120605415
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
SMILESNCc1cc(NC(=O)C2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O/c14-13(15,16)10-4-8(7-17)5-11(6-10)18-12(19)9-2-1-3-9/h4-6,9H,1-3,7,17H2,(H,18,19)
InChIKeySFNBDIPWGMZWRR-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide;hydrochloride
CID 120605176
N-[4-[3-(aminomethyl)-5-(trifluoromethyl)anilino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 120605177
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 120604600
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 120605691

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide (CID 120605415) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide is NCc1cc(NC(=O)C2CCC2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
The InChIKey is SFNBDIPWGMZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c14-13(15,16)10-4-8(7-17)5-11(6-10)18-12(19)9-2-1-3-9/h4-6,9H,1-3,7,17H2,(H,18,19).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide has a molecular weight of 272.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 120605415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).