2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

C14H16F3N3O — CID 79792358

IUPAC2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-13(18,14(15,16)17)12(21)19-7-6-9-8-20-11-5-3-2-4-10(9)11/h2-5,8,20H,6-7,18H2,1H3,(H,19,21)
InChIKeyMRBUSLPVUJRTEF-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.11
Rot. Bonds4

About 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (PubChem CID 79792358) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
PubChem CID79792358
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
SMILESCC(N)(C(=O)NCCc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C14H16F3N3O/c1-13(18,14(15,16)17)12(21)19-7-6-9-8-20-11-5-3-2-4-10(9)11/h2-5,8,20H,6-7,18H2,1H3,(H,19,21)
InChIKeyMRBUSLPVUJRTEF-UHFFFAOYSA-N
XLogP2.11
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-(1H-indol-3-yl)ethyl]-2-methylbutanamide
CID 79805542
N-(4-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylpropanediamide
CID 108964965
N-[2-(1H-indol-3-yl)ethyl]-2,2-dimethyl-N'-[(4-methylphenyl)methyl]propanediamide
CID 108961978
2-(5-fluoro-1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113209917
(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
CID 119263369
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide (CID 79792358) is 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is CC(N)(C(=O)NCCc1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
The InChIKey is MRBUSLPVUJRTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-13(18,14(15,16)17)12(21)19-7-6-9-8-20-11-5-3-2-4-10(9)11/h2-5,8,20H,6-7,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide has a molecular weight of 299.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 79792358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).