N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide

C18H15F5N2O — CID 120605419

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESNCc1cc(NC(=O)C2CC2c2c(F)cccc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F5N2O/c19-14-2-1-3-15(20)16(14)12-7-13(12)17(26)25-11-5-9(8-24)4-10(6-11)18(21,22)23/h1-6,12-13H,7-8,24H2,(H,25,26)
InChIKeyJRXIQRAKRHQBJV-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.18
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide (PubChem CID 120605419) has the molecular formula C18H15F5N2O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
PubChem CID120605419
Molecular FormulaC18H15F5N2O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide
SMILESNCc1cc(NC(=O)C2CC2c2c(F)cccc2F)cc(C(F)(F)F)c1
InChIInChI=1S/C18H15F5N2O/c19-14-2-1-3-15(20)16(14)12-7-13(12)17(26)25-11-5-9(8-24)4-10(6-11)18(21,22)23/h1-6,12-13H,7-8,24H2,(H,25,26)
InChIKeyJRXIQRAKRHQBJV-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 120605553
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 120605415
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 120605581
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 120604991
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 120605659
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide;hydrochloride
CID 120605580
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-ethyl-2-methylcyclopropane-1-carboxamide
CID 120605277
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 125120352
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 120605153
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 120604551
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 120605171

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide (CID 120605419) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide is NCc1cc(NC(=O)C2CC2c2c(F)cccc2F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JRXIQRAKRHQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O/c19-14-2-1-3-15(20)16(14)12-7-13(12)17(26)25-11-5-9(8-24)4-10(6-11)18(21,22)23/h1-6,12-13H,7-8,24H2,(H,25,26).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 4.18, 4 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]-2-(2,6-difluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 120605419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).