[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone

C20H14ClF3N2O — CID 15895830

IUPAC[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1Nc1ccc(C(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H14ClF3N2O/c21-16-11-12(26-18-8-4-3-7-17(18)25)9-10-14(16)19(27)13-5-1-2-6-15(13)20(22,23)24/h1-11,26H,25H2
InChIKeyVRSHRKWRSBPEAE-UHFFFAOYSA-N
MW390.79 g/mol
LogP5.92
Rot. Bonds4

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

[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 15895830) has the molecular formula C20H14ClF3N2O and a molecular weight of 390.79 g/mol. Its IUPAC name is [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID15895830
Molecular FormulaC20H14ClF3N2O
Molecular Weight390.79 g/mol
Exact Mass390.07
IUPAC Name[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone
SMILESNc1ccccc1Nc1ccc(C(=O)c2ccccc2C(F)(F)F)c(Cl)c1
InChIInChI=1S/C20H14ClF3N2O/c21-16-11-12(26-18-8-4-3-7-17(18)25)9-10-14(16)19(27)13-5-1-2-6-15(13)20(22,23)24/h1-11,26H,25H2
InChIKeyVRSHRKWRSBPEAE-UHFFFAOYSA-N
XLogP5.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.79
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
2-chloro-5-[2-(trifluoromethyl)anilino]benzoic acid
CID 63500586
[4-(2-aminoanilino)-2-chlorophenyl]-[2-methyl-5-(2-trimethylsilylethynyl)phenyl]methanone
CID 67314508
(3-amino-4-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 116552312
(2,5-dichlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 43344618
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
(3-chloro-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098119
ethyl 2-[3-chloro-4-(2-methylbenzoyl)anilino]benzoate
CID 10178711
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
[2-chloro-4-[2-methyl-4-(trifluoromethoxy)anilino]phenyl]-(2-methylphenyl)methanone
CID 11235486
2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
CID 47077590
1-tert-butyl-3-[2-[3-chloro-4-(2-methylbenzoyl)anilino]phenyl]urea
CID 12992830

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone (CID 15895830) is [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone is Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C(F)(F)F)c(Cl)c1.
What is the InChIKey of [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is VRSHRKWRSBPEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O/c21-16-11-12(26-18-8-4-3-7-17(18)25)9-10-14(16)19(27)13-5-1-2-6-15(13)20(22,23)24/h1-11,26H,25H2.
What are the key properties of [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 390.79 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoanilino)-2-chlorophenyl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 15895830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).