(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone

C14H9ClF3NO2 — CID 116552314

IUPAC(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-11-5-4-9(7-12(11)19)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,19H2
InChIKeyRPPASKGNZLXIEY-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.05
Rot. Bonds3

About (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone

(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 116552314) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID116552314
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESNc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO2/c15-11-5-4-9(7-12(11)19)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,19H2
InChIKeyRPPASKGNZLXIEY-UHFFFAOYSA-N
XLogP4.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
2-chloro-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 146008195

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone (CID 116552314) is (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone is Nc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is RPPASKGNZLXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-11-5-4-9(7-12(11)19)13(20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,19H2.
What are the key properties of (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone?
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 315.68 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116552314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).