1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

C15H11ClF3NO — CID 116581836

IUPAC1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H11ClF3NO/c16-12-8-10(4-5-13(12)20)14(21)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7,20H2
InChIKeyPMSFQNGQAQKYGT-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.37
Rot. Bonds3

About 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone

1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 116581836) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID116581836
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC Name1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESNc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl
InChIInChI=1S/C15H11ClF3NO/c16-12-8-10(4-5-13(12)20)14(21)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7,20H2
InChIKeyPMSFQNGQAQKYGT-UHFFFAOYSA-N
XLogP4.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116548555
1-(3,5-dichlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 114966350
1-[2-(aminomethyl)-4-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116601811
1-(4-amino-3-chlorophenyl)-2-(4-tert-butylphenyl)ethanone
CID 116581887
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-[4-(4-fluorophenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 57090023
1-(3-amino-5-bromophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 116597104
2-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]ethanone
CID 60798946
2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
1-(1-chloro-4-methoxyphthalazin-6-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;1-(4-chloro-1-methoxyphthalazin-6-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 161334451
1-(4-amino-3-chlorophenyl)-2-thiophen-3-ylethanone
CID 116581909
1-[4-(tert-butylsulfonylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 58145636

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 116581836) is 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is Nc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl.
What is the InChIKey of 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is PMSFQNGQAQKYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c16-12-8-10(4-5-13(12)20)14(21)7-9-2-1-3-11(6-9)15(17,18)19/h1-6,8H,7,20H2.
What are the key properties of 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone?
1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 313.71 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 116581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).