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

C14H16ClF3N2O — CID 13355606

IUPAC1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone
SMILESNc1c(Cl)cc(C(=O)CNC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(21)7-20-9-3-1-2-4-9/h5-6,9,20H,1-4,7,19H2
InChIKeyUKLLTQFWZIPQEC-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.66
Rot. Bonds4

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

1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone (PubChem CID 13355606) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone.

Molecular Properties

Compound Name1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone
PubChem CID13355606
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone
SMILESNc1c(Cl)cc(C(=O)CNC2CCCC2)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(21)7-20-9-3-1-2-4-9/h5-6,9,20H,1-4,7,19H2
InChIKeyUKLLTQFWZIPQEC-UHFFFAOYSA-N
XLogP3.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.66
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 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone?
The IUPAC name of 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone (CID 13355606) is 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone.
What is the SMILES notation for 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone?
The canonical SMILES for 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone is Nc1c(Cl)cc(C(=O)CNC2CCCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone?
The InChIKey is UKLLTQFWZIPQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-11-6-8(5-10(13(11)19)14(16,17)18)12(21)7-20-9-3-1-2-4-9/h5-6,9,20H,1-4,7,19H2.
What are the key properties of 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone?
1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone has a molecular weight of 320.74 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanone is sourced from PubChem (CID 13355606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).