2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone

C18H14ClF3N2O — CID 110655508

IUPAC2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNc2ccc(Cl)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H14ClF3N2O/c1-24-10-13(12-4-2-3-5-16(12)24)17(25)9-23-15-7-6-11(19)8-14(15)18(20,21)22/h2-8,10,23H,9H2,1H3
InChIKeyBICRUIGWLQXKRC-UHFFFAOYSA-N
MW366.77 g/mol
LogP5.15
Rot. Bonds4

About 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone

2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone (PubChem CID 110655508) has the molecular formula C18H14ClF3N2O and a molecular weight of 366.77 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
PubChem CID110655508
Molecular FormulaC18H14ClF3N2O
Molecular Weight366.77 g/mol
Exact Mass366.07
IUPAC Name2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone
SMILESCn1cc(C(=O)CNc2ccc(Cl)cc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C18H14ClF3N2O/c1-24-10-13(12-4-2-3-5-16(12)24)17(25)9-23-15-7-6-11(19)8-14(15)18(20,21)22/h2-8,10,23H,9H2,1H3
InChIKeyBICRUIGWLQXKRC-UHFFFAOYSA-N
XLogP5.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.77
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655455
2-anilino-1-(1-methylindol-3-yl)ethanone
CID 110655426
2-[4-(diethylamino)-2-methylanilino]-1-(1-methylindol-3-yl)ethanone
CID 110655518
2-(4-methylanilino)-1-(1-methylindol-3-yl)ethanone
CID 110655429
2-[2-(4-chlorophenyl)ethylamino]-1-(1-methylindol-3-yl)ethanone
CID 110655392
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(2-fluorophenyl)acetamide
CID 109008379
(1-methylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857099
N-(4-chloro-2-methylphenyl)-2-(1-methylindol-3-yl)-2-oxoacetamide
CID 113207749
2-[4-(dimethylamino)anilino]-1-(1-methylindol-3-yl)ethanone
CID 110655485
N-(5-chloro-2-methylphenyl)-1-methylindole-3-carboxamide
CID 40716876
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone?
The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone (CID 110655508) is 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone.
What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone?
The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone is Cn1cc(C(=O)CNc2ccc(Cl)cc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone?
The InChIKey is BICRUIGWLQXKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O/c1-24-10-13(12-4-2-3-5-16(12)24)17(25)9-23-15-7-6-11(19)8-14(15)18(20,21)22/h2-8,10,23H,9H2,1H3.
What are the key properties of 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone?
2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone has a molecular weight of 366.77 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(trifluoromethyl)anilino]-1-(1-methylindol-3-yl)ethanone is sourced from PubChem (CID 110655508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).