N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide

C13H14BrF3N2O — CID 107336768

IUPACN'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide
SMILESN/C(=N\c1ccc(OC(F)(F)F)c(Br)c1)C1CCCC1
InChIInChI=1S/C13H14BrF3N2O/c14-10-7-9(5-6-11(10)20-13(15,16)17)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19)
InChIKeyJWCDBFAYYWLSGE-UHFFFAOYSA-N
MW351.17 g/mol
LogP4.53
Rot. Bonds3

About N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide

N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide (PubChem CID 107336768) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide
PubChem CID107336768
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC NameN'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide
SMILESN/C(=N\c1ccc(OC(F)(F)F)c(Br)c1)C1CCCC1
InChIInChI=1S/C13H14BrF3N2O/c14-10-7-9(5-6-11(10)20-13(15,16)17)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19)
InChIKeyJWCDBFAYYWLSGE-UHFFFAOYSA-N
XLogP4.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[3-bromo-4-(trifluoromethoxy)phenyl]butanimidamide
CID 107336773
2-bromo-4-isothiocyanato-1-(trifluoromethoxy)benzene
CID 107336580
N'-(3-sulfamoylphenyl)cyclopentanecarboximidamide
CID 63178909
N'-(3,4-dichlorophenyl)cyclopentanecarboximidamide
CID 63178907
2-[3-bromo-4-(trifluoromethoxy)phenoxy]cyclohexan-1-ol
CID 102714916
N'-naphthalen-2-ylcyclohexanecarboximidamide
CID 55158430
N'-(3,5-difluorophenyl)cyclopentanecarboximidamide
CID 63178820
N-[2-[3-bromo-4-(trifluoromethoxy)phenoxy]ethyl]cyclopentanamine
CID 102715022
N'-[4-[3-[4-[[amino(cyclohexyl)methylidene]amino]phenoxy]phenoxy]phenyl]cyclohexanecarboximidamide
CID 56933746
N'-(4-propan-2-yloxyphenyl)cyclopentanecarboximidamide
CID 63178568
3-[[amino(cyclopentyl)methylidene]amino]benzamide
CID 107811862
N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]cyclobutanamine
CID 107342333

Frequently Asked Questions

What is the IUPAC name of N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide?
The IUPAC name of N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide (CID 107336768) is N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide?
The canonical SMILES for N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide is N/C(=N\c1ccc(OC(F)(F)F)c(Br)c1)C1CCCC1.
What is the InChIKey of N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide?
The InChIKey is JWCDBFAYYWLSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-10-7-9(5-6-11(10)20-13(15,16)17)19-12(18)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19).
What are the key properties of N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide?
N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide has a molecular weight of 351.17 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-bromo-4-(trifluoromethoxy)phenyl]cyclopentanecarboximidamide is sourced from PubChem (CID 107336768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).