N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide

C11H8Cl4N2O — CID 169027247

IUPACN-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
SMILESO=C(NC(Cl)C(Cl)(Cl)Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C11H8Cl4N2O/c12-10(11(13,14)15)17-9(18)7-5-16-8-4-2-1-3-6(7)8/h1-5,10,16H,(H,17,18)
InChIKeyPZKNJEHWBHLQEP-UHFFFAOYSA-N
MW326.01 g/mol
LogP3.83
Rot. Bonds2

About N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide

N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide (PubChem CID 169027247) has the molecular formula C11H8Cl4N2O and a molecular weight of 326.01 g/mol. Its IUPAC name is N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
PubChem CID169027247
Molecular FormulaC11H8Cl4N2O
Molecular Weight326.01 g/mol
Exact Mass323.94
IUPAC NameN-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide
SMILESO=C(NC(Cl)C(Cl)(Cl)Cl)c1c[nH]c2ccccc12
InChIInChI=1S/C11H8Cl4N2O/c12-10(11(13,14)15)17-9(18)7-5-16-8-4-2-1-3-6(7)8/h1-5,10,16H,(H,17,18)
InChIKeyPZKNJEHWBHLQEP-UHFFFAOYSA-N
XLogP3.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.01
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
N-(4-methylpentan-2-yl)-1H-indole-3-carboxamide
CID 43582090
N-butan-2-yl-1H-indole-3-carboxamide
CID 43399203
N-[1-(2-methylphenyl)ethyl]-1H-indole-3-carboxamide
CID 60659511
N-(1-methoxypropan-2-yl)-1H-indole-3-carboxamide
CID 18712226
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
4-amino-2-(1H-indole-3-carbonylamino)-4-oxobutanoic acid
CID 24702715
N-[1-(4-aminophenyl)ethyl]-1H-indole-3-carboxamide
CID 116650078
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
2,3-bis(1H-indol-3-yl)but-2-enedioic acid
CID 57224094
(2S)-2-(1H-indole-3-carbonylamino)-3-methylpentanoic acid
CID 61174653
N-(1-cyclohexylethyl)-1H-indole-3-carboxamide
CID 62405126

Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide?
The IUPAC name of N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide (CID 169027247) is N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide is O=C(NC(Cl)C(Cl)(Cl)Cl)c1c[nH]c2ccccc12.
What is the InChIKey of N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide?
The InChIKey is PZKNJEHWBHLQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl4N2O/c12-10(11(13,14)15)17-9(18)7-5-16-8-4-2-1-3-6(7)8/h1-5,10,16H,(H,17,18).
What are the key properties of N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide?
N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide has a molecular weight of 326.01 g/mol, XLogP of 3.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,2-tetrachloroethyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 169027247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).