[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone

C16H10ClF3N2O — CID 112534117

IUPAC[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone
SMILESNc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-11-3-1-2-9(6-11)15(23)22-13-5-4-12(21)7-10(13)8-14(22)16(18,19)20/h1-8H,21H2
InChIKeyODNHFSFWAKJIDM-UHFFFAOYSA-N
MW338.72 g/mol
LogP4.58
Rot. Bonds1

About [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone

[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone (PubChem CID 112534117) has the molecular formula C16H10ClF3N2O and a molecular weight of 338.72 g/mol. Its IUPAC name is [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone
PubChem CID112534117
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.72 g/mol
Exact Mass338.04
IUPAC Name[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone
SMILESNc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H10ClF3N2O/c17-11-3-1-2-9(6-11)15(23)22-13-5-4-12(21)7-10(13)8-14(22)16(18,19)20/h1-8H,21H2
InChIKeyODNHFSFWAKJIDM-UHFFFAOYSA-N
XLogP4.58
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.72
LogP ≤ 54.58
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

[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-methylphenyl)methanone
CID 112534114
1-[5-amino-2-(trifluoromethyl)indol-1-yl]-2-(4-chlorophenyl)ethanone
CID 112534129
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861
[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-(3-chlorophenyl)methanone;hydrochloride
CID 120619947
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
5-amino-3-(3-fluorobenzoyl)-1-methylbenzimidazol-2-one
CID 110721681
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
benzoic acid;3-chlorobenzoic acid
CID 162034638
(3-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 62802145
[4-[4-amino-2-(1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]-(3-chlorophenyl)methanone
CID 56737354
[5-chloro-2-[2-chloro-3-(trifluoromethyl)phenyl]benzimidazol-1-yl]-(3,4-difluorophenyl)methanone
CID 155598939

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone?
The IUPAC name of [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone (CID 112534117) is [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone.
What is the SMILES notation for [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone?
The canonical SMILES for [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone is Nc1ccc2c(c1)cc(C(F)(F)F)n2C(=O)c1cccc(Cl)c1.
What is the InChIKey of [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone?
The InChIKey is ODNHFSFWAKJIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2O/c17-11-3-1-2-9(6-11)15(23)22-13-5-4-12(21)7-10(13)8-14(22)16(18,19)20/h1-8H,21H2.
What are the key properties of [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone?
[5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone has a molecular weight of 338.72 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(trifluoromethyl)indol-1-yl]-(3-chlorophenyl)methanone is sourced from PubChem (CID 112534117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).