N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide

C13H13F3N2O — CID 61381226

IUPACN-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13F3N2O/c1-18(7-6-13(14,15)16)12(19)10-8-17-11-5-3-2-4-9(10)11/h2-5,8,17H,6-7H2,1H3
InChIKeyLWNYXQWJQQDXHM-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.19
Rot. Bonds3

About N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide

N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide (PubChem CID 61381226) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
PubChem CID61381226
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC NameN-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H13F3N2O/c1-18(7-6-13(14,15)16)12(19)10-8-17-11-5-3-2-4-9(10)11/h2-5,8,17H,6-7H2,1H3
InChIKeyLWNYXQWJQQDXHM-UHFFFAOYSA-N
XLogP3.19
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
N-(1H-imidazol-2-ylmethyl)-N-methyl-1H-indole-3-carboxamide
CID 63939451
2-[1H-indole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 62818979
N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-3-carboxamide
CID 105420068
N-methoxy-N-methyl-1H-indole-3-carboxamide
CID 23299589
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 103337351
5-bromo-N,6-dimethyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
CID 75475898
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 17480468
N-[(4-acetamidophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 131842101
N-[(3-bromophenyl)methyl]-N-methyl-1H-indole-3-carboxamide
CID 61042579
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-indole-3-carboxamide
CID 64512779

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The IUPAC name of N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide (CID 61381226) is N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The canonical SMILES for N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
The InChIKey is LWNYXQWJQQDXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-18(7-6-13(14,15)16)12(19)10-8-17-11-5-3-2-4-9(10)11/h2-5,8,17H,6-7H2,1H3.
What are the key properties of N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide?
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 61381226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).