N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide

C17H12ClF3N2O — CID 113098868

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O/c18-11-5-6-15(13(8-11)17(19,20)21)23-16(24)7-10-9-22-14-4-2-1-3-12(10)14/h1-6,8-9,22H,7H2,(H,23,24)
InChIKeyDQGKBOZWSVDXKE-UHFFFAOYSA-N
MW352.74 g/mol
LogP5.02
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 113098868) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
PubChem CID113098868
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C17H12ClF3N2O/c18-11-5-6-15(13(8-11)17(19,20)21)23-16(24)7-10-9-22-14-4-2-1-3-12(10)14/h1-6,8-9,22H,7H2,(H,23,24)
InChIKeyDQGKBOZWSVDXKE-UHFFFAOYSA-N
XLogP5.02
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.74
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4853997
[(1S)-2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl]-[2-(1H-indol-3-yl)ethyl]azanium
CID 2534806
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
2-(1H-indol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 20969118
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684225
N-(3-chlorophenyl)-N'-[4-chloro-2-(trifluoromethyl)phenyl]propanediamide
CID 108954992
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
N-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 113047833
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 70850909

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide (CID 113098868) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide?
The InChIKey is DQGKBOZWSVDXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-11-5-6-15(13(8-11)17(19,20)21)23-16(24)7-10-9-22-14-4-2-1-3-12(10)14/h1-6,8-9,22H,7H2,(H,23,24).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 352.74 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 113098868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).