(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone

C17H13F3N2O — CID 19036951

IUPAC(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)c2ccccc2C(F)(F)F)n(N)c2ccccc12
InChIInChI=1S/C17H13F3N2O/c1-10-11-6-3-5-9-14(11)22(21)15(10)16(23)12-7-2-4-8-13(12)17(18,19)20/h2-9H,21H2,1H3
InChIKeyMMQOWQHJGCDNGZ-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.91
Rot. Bonds2

About (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone

(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 19036951) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID19036951
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESCc1c(C(=O)c2ccccc2C(F)(F)F)n(N)c2ccccc12
InChIInChI=1S/C17H13F3N2O/c1-10-11-6-3-5-9-14(11)22(21)15(10)16(23)12-7-2-4-8-13(12)17(18,19)20/h2-9H,21H2,1H3
InChIKeyMMQOWQHJGCDNGZ-UHFFFAOYSA-N
XLogP3.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
(3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 55120964
(2,6-difluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971268
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114329543
(4-bromo-1-ethylpyrazol-5-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 115803593
1-[1,3-dimethyl-7-(trifluoromethyl)indol-2-yl]ethanone
CID 83919945
(2-aminothiophen-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 12630812
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 117266986
methyl 2-(trifluoromethyl)benzoate
CID 2775578
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 19036951) is (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone is Cc1c(C(=O)c2ccccc2C(F)(F)F)n(N)c2ccccc12.
What is the InChIKey of (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is MMQOWQHJGCDNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-11-6-3-5-9-14(11)22(21)15(10)16(23)12-7-2-4-8-13(12)17(18,19)20/h2-9H,21H2,1H3.
What are the key properties of (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone?
(1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 318.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-methylindol-2-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 19036951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).