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

C14H9ClF3NO — CID 116552312

IUPAC(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1cc(C(=O)c2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-11-6-5-8(7-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h1-7H,19H2
InChIKeyRTTUMUCSTMFXEU-UHFFFAOYSA-N
MW299.68 g/mol
LogP4.17
Rot. Bonds2

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

(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 116552312) has the molecular formula C14H9ClF3NO and a molecular weight of 299.68 g/mol. Its IUPAC name is (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID116552312
Molecular FormulaC14H9ClF3NO
Molecular Weight299.68 g/mol
Exact Mass299.03
IUPAC Name(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1cc(C(=O)c2ccccc2C(F)(F)F)ccc1Cl
InChIInChI=1S/C14H9ClF3NO/c15-11-6-5-8(7-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h1-7H,19H2
InChIKeyRTTUMUCSTMFXEU-UHFFFAOYSA-N
XLogP4.17
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.68
LogP ≤ 54.17
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

(3,4-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344485
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(3-amino-4-chlorophenyl)-quinolin-8-ylmethanone
CID 116552296
(3,5-dibromophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 107976795
[3-amino-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 10849266
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
2,3-dihydro-1-benzofuran-5-yl-[2-(trifluoromethyl)phenyl]methanone
CID 43338491
[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
CID 15895830
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone (CID 116552312) is (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is Nc1cc(C(=O)c2ccccc2C(F)(F)F)ccc1Cl.
What is the InChIKey of (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is RTTUMUCSTMFXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO/c15-11-6-5-8(7-12(11)19)13(20)9-3-1-2-4-10(9)14(16,17)18/h1-7H,19H2.
What are the key properties of (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone?
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 299.68 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 116552312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).