2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone

C14H16ClF3N2O — CID 22765869

IUPAC2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone
SMILESNc1c(Cl)cc(C(=O)C(N)C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-10-6-8(5-9(12(10)20)14(16,17)18)13(21)11(19)7-3-1-2-4-7/h5-7,11H,1-4,19-20H2
InChIKeyGEYHEFPMLGUBSW-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone

2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone (PubChem CID 22765869) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone.

Molecular Properties

Compound Name2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone
PubChem CID22765869
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone
SMILESNc1c(Cl)cc(C(=O)C(N)C2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-10-6-8(5-9(12(10)20)14(16,17)18)13(21)11(19)7-3-1-2-4-7/h5-7,11H,1-4,19-20H2
InChIKeyGEYHEFPMLGUBSW-UHFFFAOYSA-N
XLogP3.64
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone?
The IUPAC name of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone (CID 22765869) is 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone.
What is the SMILES notation for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone?
The canonical SMILES for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone is Nc1c(Cl)cc(C(=O)C(N)C2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone?
The InChIKey is GEYHEFPMLGUBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-10-6-8(5-9(12(10)20)14(16,17)18)13(21)11(19)7-3-1-2-4-7/h5-7,11H,1-4,19-20H2.
What are the key properties of 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone?
2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone has a molecular weight of 320.74 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-cyclopentylethanone is sourced from PubChem (CID 22765869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).