[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone

C16H13ClF3NO2 — CID 101243523

IUPAC[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(Cl)cc1C(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C16H13ClF3NO2/c1-23-8-9-2-4-11(17)7-12(9)15(22)13-6-10(16(18,19)20)3-5-14(13)21/h2-7H,8,21H2,1H3
InChIKeyWLJIPEZFHCWVRZ-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.32
Rot. Bonds4

About [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone

[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone (PubChem CID 101243523) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone
PubChem CID101243523
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone
SMILESCOCc1ccc(Cl)cc1C(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C16H13ClF3NO2/c1-23-8-9-2-4-11(17)7-12(9)15(22)13-6-10(16(18,19)20)3-5-14(13)21/h2-7H,8,21H2,1H3
InChIKeyWLJIPEZFHCWVRZ-UHFFFAOYSA-N
XLogP4.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone?
The IUPAC name of [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone (CID 101243523) is [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone is COCc1ccc(Cl)cc1C(=O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone?
The InChIKey is WLJIPEZFHCWVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c1-23-8-9-2-4-11(17)7-12(9)15(22)13-6-10(16(18,19)20)3-5-14(13)21/h2-7H,8,21H2,1H3.
What are the key properties of [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone?
[2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone has a molecular weight of 343.73 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(trifluoromethyl)phenyl]-[5-chloro-2-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 101243523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).