N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide

C14H13F5N2O — CID 132555412

IUPACN-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(F)(F)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C14H13F5N2O/c1-8(22)20-7-6-10-9-4-2-3-5-11(9)21-12(10)13(15,16)14(17,18)19/h2-5,21H,6-7H2,1H3,(H,20,22)
InChIKeyRTEMKLKABFZISG-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.50
Rot. Bonds4

About N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide

N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide (PubChem CID 132555412) has the molecular formula C14H13F5N2O and a molecular weight of 320.26 g/mol. Its IUPAC name is N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide
PubChem CID132555412
Molecular FormulaC14H13F5N2O
Molecular Weight320.26 g/mol
Exact Mass320.09
IUPAC NameN-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(C(F)(F)C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C14H13F5N2O/c1-8(22)20-7-6-10-9-4-2-3-5-11(9)21-12(10)13(15,16)14(17,18)19/h2-5,21H,6-7H2,1H3,(H,20,22)
InChIKeyRTEMKLKABFZISG-UHFFFAOYSA-N
XLogP3.50
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[3-(3-phenyl-1H-indol-2-yl)propyl]acetamide
CID 71418732
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
methyl 4-[2-(trifluoromethyl)-1H-indol-3-yl]butanoate
CID 101463365
N-[2-[2-[(E)-2-(2-tert-butyl-1,3-dithian-2-yl)ethenyl]-1H-indol-3-yl]ethyl]acetamide
CID 163208586
N-[2-(2-benzyl-1H-indol-3-yl)ethyl]acetamide;N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 67779850
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
2-[(4,6-dimethyl-2-pyridinyl)amino]-N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]pyrimidine-5-carboxamide;hydrochloride
CID 155553139
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
N-[2-[2-(trifluoromethyl)-1H-indol-3-yl]ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 166383905
N-[2-(1H-indol-2-yl)ethyl]acetamide
CID 10465460

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide (CID 132555412) is N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide is CC(=O)NCCc1c(C(F)(F)C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide?
The InChIKey is RTEMKLKABFZISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N2O/c1-8(22)20-7-6-10-9-4-2-3-5-11(9)21-12(10)13(15,16)14(17,18)19/h2-5,21H,6-7H2,1H3,(H,20,22).
What are the key properties of N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide?
N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide has a molecular weight of 320.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,1,2,2,2-pentafluoroethyl)-1H-indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 132555412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).