(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone

C14H9ClF3NO2 — CID 116629442

IUPAC(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(19)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,19H2
InChIKeyDHQGMNWJVXAETA-UHFFFAOYSA-N
MW315.68 g/mol
LogP4.05
Rot. Bonds3

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

(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 116629442) has the molecular formula C14H9ClF3NO2 and a molecular weight of 315.68 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID116629442
Molecular FormulaC14H9ClF3NO2
Molecular Weight315.68 g/mol
Exact Mass315.03
IUPAC Name(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESNc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C14H9ClF3NO2/c15-12-7-9(19)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,19H2
InChIKeyDHQGMNWJVXAETA-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-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
CID 3016510
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
(4-amino-2-chlorophenyl)-[4-(dimethylamino)phenyl]methanone
CID 134092266
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405
(3-amino-4-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 53414396
2-chloro-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 134626175
(4-amino-2-chlorophenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66259410
2,4-dichloro-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 2744744
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
(4-amino-2-chlorophenyl)-[4-(2-methoxyethoxy)-2-methylphenyl]methanone
CID 67314649
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 116629442) is (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is Nc1ccc(C(=O)c2ccc(OC(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is DHQGMNWJVXAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO2/c15-12-7-9(19)3-6-11(12)13(20)8-1-4-10(5-2-8)21-14(16,17)18/h1-7H,19H2.
What are the key properties of (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
(4-amino-2-chlorophenyl)-[4-(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 (4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116629442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).