N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide

C17H10Cl4N2O2 — CID 18368099

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
SMILESO=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-10-6-7-11-12(8-10)22-14(13(11)23-16(25)17(19,20)21)15(24)9-4-2-1-3-5-9/h1-8,22H,(H,23,25)
InChIKeyJTNIJSXXZYRHOL-UHFFFAOYSA-N
MW416.09 g/mol
LogP5.36
Rot. Bonds3

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide (PubChem CID 18368099) has the molecular formula C17H10Cl4N2O2 and a molecular weight of 416.09 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
PubChem CID18368099
Molecular FormulaC17H10Cl4N2O2
Molecular Weight416.09 g/mol
Exact Mass413.95
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
SMILESO=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C17H10Cl4N2O2/c18-10-6-7-11-12(8-10)22-14(13(11)23-16(25)17(19,20)21)15(24)9-4-2-1-3-5-9/h1-8,22H,(H,23,25)
InChIKeyJTNIJSXXZYRHOL-UHFFFAOYSA-N
XLogP5.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.09
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
CID 18368226
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
CID 18367804
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 18367776
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide (CID 18368099) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide is O=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide?
The InChIKey is JTNIJSXXZYRHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4N2O2/c18-10-6-7-11-12(8-10)22-14(13(11)23-16(25)17(19,20)21)15(24)9-4-2-1-3-5-9/h1-8,22H,(H,23,25).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide has a molecular weight of 416.09 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 18368099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).